PcDNIW!# trac-]AݖewPsw'bM Ii4x5ܕ|IԀ;D}&1Pa˝vmPoiKL||,v ['yR7ihG-, 8<S)LG^kvs,S1/i#MHWi<=)p!;‚m tfrdnob               bmysCCCCCCCNCCNCCCCCCOClNOOHHHHHHHHHHLpghca PYTp+ilyCiloSdmnRZp TNIpz 0y<Ptwօz~st6t |Xs W\ׇQ T{zya vt8ux' p8I RyI ͂su Evզ# 1;:u~ zwv  4z x x}~x~1Ŋj~j]{1UL)vau7Ltuxw 6nm 6g!kNPn 'Frm (0vv l=|tu.s(|s Ets ϙ|N{ORTSGSMcPiDNIWGSMcGSMpTXETMessage# CBALMessageSMApIAMtAtoms e&\CBALAtomsMessageMessagesij56MG_L9&ubO< ) x  e  R ? ,{hUB/~k XE2n [H5"q^K8%t a N!!!;"""(#w##$d$$%Q%%%>&&&+'z''(g(()T)))A***.+}++,j,,-W---D...1///0m00 1Z111G2224333!4p445]555J6667777$8s889`999M::::;;;'<v<<=c==>P>>>=???*@y@@AfAABSBBB@CCC-D|DDEiEEFVFFFCGGG0HHHIlII JYJJJFKKK3LLL MoMM N\NNNIOOO6PPP#QrQQR_RRRLSSS9TTT&UuUUVbVVWOWWWuuu+vzvvwgwwxTxxxAyyy.z}zz{j{{|W|||D}}}1~~~m ZG4҂!p]J7Ն$s‡`M:؊'vŋcP=ێ*yȏfS@ޒ-|˓iVC0Ηl YF3ћ o \I6ԟ#r_L9ף&uĤbO<ڧ)xǨeR?ݫ,{ʬhUB/~Ͱk XE2дn [H5Ӹ"q^K8ּ%týaN;(wdQ>+zgTA.}jWD1m ZG4!p]J7$s`M:'vcP=*yfS@-|iVC0l YF3 o \I6#r_L9&ubO<)xeR?,{hUB/~k XE2n [H5"q A s    ; m    Adding lone pairs to N(8) OPi System: 14 15 16 17 13 8 12 7 4 5 6 1 3 2 21 20 22 3Warning: Some parameters are guessed (Quality = 1). 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge.  Stretch: 47.9150  Bend: 277.2191  Stretch-Bend: 1.4060  Torsion: 25.2008  Non-1,4 VDW: 1499.9313  1,4 VDW: 286.4625  Charge/Charge: 0.0000  Charge/Dipole: 0.8493 Total: 2138.9839   7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. ! !7Warning: the Pi SCF computation has failed to converge.!" "7Warning: the Pi SCF computation has failed to converge."# #7Warning: the Pi SCF computation has failed to converge.#$ $7Warning: the Pi SCF computation has failed to converge.$% %7Warning: the Pi SCF computation has failed to converge.%& &7Warning: the Pi SCF computation has failed to converge.&' '7Warning: the Pi SCF computation has failed to converge.'( (7Warning: the Pi SCF computation has failed to converge.() )7Warning: the Pi SCF computation has failed to converge.)* *7Warning: the Pi SCF computation has failed to converge.*+ +7Warning: the Pi SCF computation has failed to converge.+, ,7Warning: the Pi SCF computation has failed to converge.,- -7Warning: the Pi SCF computation has failed to converge.-. .7Warning: the Pi SCF computation has failed to converge../ /7Warning: the Pi SCF computation has failed to converge./0 07Warning: the Pi SCF computation has failed to converge.01 17Warning: the Pi SCF computation has failed to converge.12 27Warning: the Pi SCF computation has failed to converge.23 37Warning: the Pi SCF computation has failed to converge.34 47Warning: the Pi SCF computation has failed to converge.45 57Warning: the Pi SCF computation has failed to converge.56 67Warning: the Pi SCF computation has failed to converge.67 77Warning: the Pi SCF computation has failed to converge.78 87Warning: the Pi SCF computation has failed to converge.89 97Warning: the Pi SCF computation has failed to converge.9: :7Warning: the Pi SCF computation has failed to converge.:; ;7Warning: the Pi SCF computation has failed to converge.;< <7Warning: the Pi SCF computation has failed to converge.<= =7Warning: the Pi SCF computation has failed to converge.=> >7Warning: the Pi SCF computation has failed to converge.>? ?7Warning: the Pi SCF computation has failed to converge.?@ @7Warning: the Pi SCF computation has failed to converge.@A A7Warning: the Pi SCF computation has failed to converge.AB B7Warning: the Pi SCF computation has failed to converge.BC C7Warning: the Pi SCF computation has failed to converge.CD D7Warning: the Pi SCF computation has failed to converge.DE E7Warning: the Pi SCF computation has failed to converge.EF F7Warning: the Pi SCF computation has failed to converge.FG G7Warning: the Pi SCF computation has failed to converge.GH H7Warning: the Pi SCF computation has failed to converge.HI I7Warning: the Pi SCF computation has failed to converge.IJ J7Warning: the Pi SCF computation has failed to converge.JK K7Warning: the Pi SCF computation has failed to converge.KL L7Warning: the Pi SCF computation has failed to converge.LM M7Warning: the Pi SCF computation has failed to converge.MN N7Warning: the Pi SCF computation has failed to converge.NO O7Warning: the Pi SCF computation has failed to converge.OP P7Warning: the Pi SCF computation has failed to converge.PQ Q7Warning: the Pi SCF computation has failed to converge.QR R7Warning: the Pi SCF computation has failed to converge.RS S7Warning: the Pi SCF computation has failed to converge.ST T7Warning: the Pi SCF computation has failed to converge.TU U7Warning: the Pi SCF computation has failed to converge.UV V7Warning: the Pi SCF computation has failed to converge.VW W7Warning: the Pi SCF computation has failed to converge.WX X7Warning: the Pi SCF computation has failed to converge.XY Y7Warning: the Pi SCF computation has failed to converge.YZ Z7Warning: the Pi SCF computation has failed to converge.Z[ [7Warning: the Pi SCF computation has failed to converge.[\ \7Warning: the Pi SCF computation has failed to converge.\] ]7Warning: the Pi SCF computation has failed to converge.]^ ^7Warning: the Pi SCF computation has failed to converge.^_ _7Warning: the Pi SCF computation has failed to converge._` `7Warning: the Pi SCF computation has failed to converge.`a a7Warning: the Pi SCF computation has failed to converge.ab b7Warning: the Pi SCF computation has failed to converge.bc c7Warning: the Pi SCF computation has failed to converge.cd d7Warning: the Pi SCF computation has failed to converge.de e7Warning: the Pi SCF computation has failed to converge.ef f7Warning: the Pi SCF computation has failed to converge.fg g7Warning: the Pi SCF computation has failed to converge.gh h7Warning: the Pi SCF computation has failed to converge.hi i7Warning: the Pi SCF computation has failed to converge.ij j7Warning: the Pi SCF computation has failed to converge.jk k7Warning: the Pi SCF computation has failed to converge.kl l7Warning: the Pi SCF computation has failed to converge.lm m7Warning: the Pi SCF computation has failed to converge.mn n7Warning: the Pi SCF computation has failed to converge.no o7Warning: the Pi SCF computation has failed to converge.op p7Warning: the Pi SCF computation has failed to converge.pq q7Warning: the Pi SCF computation has failed to converge.qr r7Warning: the Pi SCF computation has failed to converge.rs s7Warning: the Pi SCF computation has failed to converge.st t7Warning: the Pi SCF computation has failed to converge.tu u7Warning: the Pi SCF computation has failed to converge.uv v7Warning: the Pi SCF computation has failed to converge.vw w7Warning: the Pi SCF computation has failed to converge.wx x7Warning: the Pi SCF computation has failed to converge.xy y7Warning: the Pi SCF computation has failed to converge.yz z7Warning: the Pi SCF computation has failed to converge.z{ {7Warning: the Pi SCF computation has failed to converge.{| |7Warning: the Pi SCF computation has failed to converge.|} }7Warning: the Pi SCF computation has failed to converge.}~ ~7Warning: the Pi SCF computation has failed to converge.~ 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge. ! !7Warning: the Pi SCF computation has failed to converge.!" "7Warning: the Pi SCF computation has failed to converge."# #7Warning: the Pi SCF computation has failed to converge.#$ $7Warning: the Pi SCF computation has failed to converge.$% %7Warning: the Pi SCF computation has failed to converge.%& &7Warning: the Pi SCF computation has failed to converge.&' '7Warning: the Pi SCF computation has failed to converge.'( (7Warning: the Pi SCF computation has failed to converge.() )7Warning: the Pi SCF computation has failed to converge.)* *7Warning: the Pi SCF computation has failed to converge.*+ +7Warning: the Pi SCF computation has failed to converge.+, ,7Warning: the Pi SCF computation has failed to converge.,- -7Warning: the Pi SCF computation has failed to converge.-. .7Warning: the Pi SCF computation has failed to converge../ /7Warning: the Pi SCF computation has failed to converge./0 07Warning: the Pi SCF computation has failed to converge.01 17Warning: the Pi SCF computation has failed to converge.12 27Warning: the Pi SCF computation has failed to converge.23 37Warning: the Pi SCF computation has failed to converge.34 47Warning: the Pi SCF computation has failed to converge.45 57Warning: the Pi SCF computation has failed to converge.56 67Warning: the Pi SCF computation has failed to converge.67 77Warning: the Pi SCF computation has failed to converge.78 87Warning: the Pi SCF computation has failed to converge.89 97Warning: the Pi SCF computation has failed to converge.9: :7Warning: the Pi SCF computation has failed to converge.:; ;7Warning: the Pi SCF computation has failed to converge.;< <7Warning: the Pi SCF computation has failed to converge.<= =7Warning: the Pi SCF computation has failed to converge.=> >7Warning: the Pi SCF computation has failed to converge.>? ?7Warning: the Pi SCF computation has failed to converge.?@ @7Warning: the Pi SCF computation has failed to converge.@A A7Warning: the Pi SCF computation has failed to converge.AB B7Warning: the Pi SCF computation has failed to converge.BC C7Warning: the Pi SCF computation has failed to converge.CD D7Warning: the Pi SCF computation has failed to converge.DE E7Warning: the Pi SCF computation has failed to converge.EF F7Warning: the Pi SCF computation has failed to converge.FG G7Warning: the Pi SCF computation has failed to converge.GH H7Warning: the Pi SCF computation has failed to converge.HI I7Warning: the Pi SCF computation has failed to converge.IJ J7Warning: the Pi SCF computation has failed to converge.JK K7Warning: the Pi SCF computation has failed to converge.KL L7Warning: the Pi SCF computation has failed to converge.LM M7Warning: the Pi SCF computation has failed to converge.MN N7Warning: the Pi SCF computation has failed to converge.NO O7Warning: the Pi SCF computation has failed to converge.OP P7Warning: the Pi SCF computation has failed to converge.PQ Q7Warning: the Pi SCF computation has failed to converge.QR R7Warning: the Pi SCF computation has failed to converge.RS S7Warning: the Pi SCF computation has failed to converge.ST T7Warning: the Pi SCF computation has failed to converge.TU U7Warning: the Pi SCF computation has failed to converge.UV V7Warning: the Pi SCF computation has failed to converge.VW W7Warning: the Pi SCF computation has failed to converge.WX X7Warning: the Pi SCF computation has failed to converge.XY Y7Warning: the Pi SCF computation has failed to converge.YZ Z7Warning: the Pi SCF computation has failed to converge.Z[ [7Warning: the Pi SCF computation has failed to converge.[\ \7Warning: the Pi SCF computation has failed to converge.\] ]7Warning: the Pi SCF computation has failed to converge.]^ ^7Warning: the Pi SCF computation has failed to converge.^_ _7Warning: the Pi SCF computation has failed to converge._` `7Warning: the Pi SCF computation has failed to converge.`a a7Warning: the Pi SCF computation has failed to converge.ab b7Warning: the Pi SCF computation has failed to converge.bc c7Warning: the Pi SCF computation has failed to converge.cd d7Warning: the Pi SCF computation has failed to converge.de e7Warning: the Pi SCF computation has failed to converge.ef f7Warning: the Pi SCF computation has failed to converge.fg g7Warning: the Pi SCF computation has failed to converge.gh h7Warning: the Pi SCF computation has failed to converge.hi i7Warning: the Pi SCF computation has failed to converge.ij j7Warning: the Pi SCF computation has failed to converge.jk k7Warning: the Pi SCF computation has failed to converge.kl l7Warning: the Pi SCF computation has failed to converge.lm m7Warning: the Pi SCF computation has failed to converge.mn n7Warning: the Pi SCF computation has failed to converge.no o7Warning: the Pi SCF computation has failed to converge.op p7Warning: the Pi SCF computation has failed to converge.pq q7Warning: the Pi SCF computation has failed to converge.qr r7Warning: the Pi SCF computation has failed to converge.rs s7Warning: the Pi SCF computation has failed to converge.st t7Warning: the Pi SCF computation has failed to converge.tu u7Warning: the Pi SCF computation has failed to converge.uv v7Warning: the Pi SCF computation has failed to converge.vw w7Warning: the Pi SCF computation has failed to converge.wx x7Warning: the Pi SCF computation has failed to converge.xy y7Warning: the Pi SCF computation has failed to converge.yz z7Warning: the Pi SCF computation has failed to converge.z{ {7Warning: the Pi SCF computation has failed to converge.{| |7Warning: the Pi SCF computation has failed to converge.|} }7Warning: the Pi SCF computation has failed to converge.}~ ~7Warning: the Pi SCF computation has failed to converge.~ 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge. ! !7Warning: the Pi SCF computation has failed to converge.!" "7Warning: the Pi SCF computation has failed to converge."# #7Warning: the Pi SCF computation has failed to converge.#$ $7Warning: the Pi SCF computation has failed to converge.$% %7Warning: the Pi SCF computation has failed to converge.%& &7Warning: the Pi SCF computation has failed to converge.&' '7Warning: the Pi SCF computation has failed to converge.'( (7Warning: the Pi SCF computation has failed to converge.() )7Warning: the Pi SCF computation has failed to converge.)* *7Warning: the Pi SCF computation has failed to converge.*+ +7Warning: the Pi SCF computation has failed to converge.+, ,7Warning: the Pi SCF computation has failed to converge.,- -7Warning: the Pi SCF computation has failed to converge.-. .7Warning: the Pi SCF computation has failed to converge../ /7Warning: the Pi SCF computation has failed to converge./0 07Warning: the Pi SCF computation has failed to converge.01 17Warning: the Pi SCF computation has failed to converge.12 27Warning: the Pi SCF computation has failed to converge.23 37Warning: the Pi SCF computation has failed to converge.34 47Warning: the Pi SCF computation has failed to converge.45 57Warning: the Pi SCF computation has failed to converge.56 67Warning: the Pi SCF computation has failed to converge.67 77Warning: the Pi SCF computation has failed to converge.78 87Warning: the Pi SCF computation has failed to converge.89 97Warning: the Pi SCF computation has failed to converge.9: :7Warning: the Pi SCF computation has failed to converge.:; ;7Warning: the Pi SCF computation has failed to converge.;< <7Warning: the Pi SCF computation has failed to converge.<= =7Warning: the Pi SCF computation has failed to converge.=> >7Warning: the Pi SCF computation has failed to converge.>? ?7Warning: the Pi SCF computation has failed to converge.?@ @7Warning: the Pi SCF computation has failed to converge.@A A7Warning: the Pi SCF computation has failed to converge.AB B7Warning: the Pi SCF computation has failed to converge.BC C7Warning: the Pi SCF computation has failed to converge.CD D7Warning: the Pi SCF computation has failed to converge.DE E7Warning: the Pi SCF computation has failed to converge.EF F7Warning: the Pi SCF computation has failed to converge.FG G7Warning: the Pi SCF computation has failed to converge.GH H7Warning: the Pi SCF computation has failed to converge.HI I7Warning: the Pi SCF computation has failed to converge.IJ J7Warning: the Pi SCF computation has failed to converge.JK K7Warning: the Pi SCF computation has failed to converge.KL L7Warning: the Pi SCF computation has failed to converge.LM M7Warning: the Pi SCF computation has failed to converge.MN N7Warning: the Pi SCF computation has failed to converge.NO O7Warning: the Pi SCF computation has failed to converge.OP P7Warning: the Pi SCF computation has failed to converge.PQ Q7Warning: the Pi SCF computation has failed to converge.QR R7Warning: the Pi SCF computation has failed to converge.RS S7Warning: the Pi SCF computation has failed to converge.ST T7Warning: the Pi SCF computation has failed to converge.TU U7Warning: the Pi SCF computation has failed to converge.UV V7Warning: the Pi SCF computation has failed to converge.VW W7Warning: the Pi SCF computation has failed to converge.WX X7Warning: the Pi SCF computation has failed to converge.XY Y7Warning: the Pi SCF computation has failed to converge.YZ Z7Warning: the Pi SCF computation has failed to converge.Z[ [7Warning: the Pi SCF computation has failed to converge.[\ \7Warning: the Pi SCF computation has failed to converge.\] ]7Warning: the Pi SCF computation has failed to converge.]^ ^7Warning: the Pi SCF computation has failed to converge.^_ _7Warning: the Pi SCF computation has failed to converge._` `7Warning: the Pi SCF computation has failed to converge.`a a7Warning: the Pi SCF computation has failed to converge.ab b7Warning: the Pi SCF computation has failed to converge.bc c7Warning: the Pi SCF computation has failed to converge.cd d7Warning: the Pi SCF computation has failed to converge.de e7Warning: the Pi SCF computation has failed to converge.ef f7Warning: the Pi SCF computation has failed to converge.fg g7Warning: the Pi SCF computation has failed to converge.gh h7Warning: the Pi SCF computation has failed to converge.hi i7Warning: the Pi SCF computation has failed to converge.ij j7Warning: the Pi SCF computation has failed to converge.jk k7Warning: the Pi SCF computation has failed to converge.kl l7Warning: the Pi SCF computation has failed to converge.lm m7Warning: the Pi SCF computation has failed to converge.mn n7Warning: the Pi SCF computation has failed to converge.no o7Warning: the Pi SCF computation has failed to converge.op p7Warning: the Pi SCF computation has failed to converge.pq q7Warning: the Pi SCF computation has failed to converge.qr r7Warning: the Pi SCF computation has failed to converge.rs s7Warning: the Pi SCF computation has failed to converge.st t7Warning: the Pi SCF computation has failed to converge.tu u7Warning: the Pi SCF computation has failed to converge.uv v7Warning: the Pi SCF computation has failed to converge.vw w7Warning: the Pi SCF computation has failed to converge.wx x7Warning: the Pi SCF computation has failed to converge.xy y7Warning: the Pi SCF computation has failed to converge.yz z7Warning: the Pi SCF computation has failed to converge.z{ {7Warning: the Pi SCF computation has failed to converge.{| |7Warning: the Pi SCF computation has failed to converge.|} }7Warning: the Pi SCF computation has failed to converge.}~ ~7Warning: the Pi SCF computation has failed to converge.~ 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF 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computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.   7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge. 7Warning: the Pi SCF computation has failed to converge.  7Warning: the Pi SCF computation has failed to converge. ! !7Warning: the Pi SCF computation has failed to converge.!" "7Warning: the Pi SCF computation has failed to converge."# #7Warning: the Pi SCF computation has failed to converge.#$ $7Warning: the Pi SCF computation has failed to converge.$% %7Warning: the Pi SCF computation has failed to converge.%& &7Warning: the Pi SCF computation has failed to converge.&' '7Warning: the Pi SCF computation has failed to converge.'( (7Warning: the Pi SCF computation has failed to converge.() )7Warning: the Pi SCF computation has failed to converge.)* *7Warning: the Pi SCF computation has failed to converge.*+ +7Warning: the Pi SCF computation has failed to converge.+, ,7Warning: the Pi SCF computation has failed to converge.,- -7Warning: the Pi SCF computation has failed to converge.-. .7Warning: the Pi SCF computation has failed to converge../ /7Warning: the Pi SCF computation has failed to converge./0 07Warning: the Pi SCF computation has failed to converge.01 17Warning: the Pi SCF computation has failed to converge.12 27Warning: the Pi SCF computation has failed to converge.23 37Warning: the Pi SCF computation has failed to converge.34 47Warning: the Pi SCF computation has failed to converge.45 57Warning: the Pi SCF computation has failed to converge.56 67Warning: the Pi SCF computation has failed to converge.67 77Warning: the Pi SCF computation has failed to converge.78 87Warning: the Pi SCF computation has failed to converge.89 97Warning: the Pi SCF computation has failed to converge.9: :7Warning: the Pi SCF computation has failed to converge.:; ;7Warning: the Pi SCF computation has failed to converge.;< <7Warning: the Pi SCF computation has failed to converge.<= =7Warning: the Pi SCF computation has failed to converge.=> >7Warning: the Pi SCF computation has failed to converge.>? ?7Warning: the Pi SCF computation has failed to converge.?@ @7Warning: the Pi SCF computation has failed to converge.@A A7Warning: the Pi SCF computation has failed to converge.AB B7Warning: the Pi SCF computation has failed to converge.BC C7Warning: the Pi SCF computation has failed to converge.CD D7Warning: the Pi SCF computation has failed to converge.DE E7Warning: the Pi SCF computation has failed to converge.EF F7Warning: the Pi SCF computation has failed to converge.FG G7Warning: the Pi SCF computation has failed to converge.GH H7Warning: the Pi SCF computation has failed to converge.HI I7Warning: the Pi SCF computation has failed to converge.IJ J7Warning: the Pi SCF computation has failed to converge.JK K7Warning: the Pi SCF computation has failed to converge.KL L7Warning: the Pi SCF computation has failed to converge.LM M7Warning: the Pi SCF computation has failed to converge.MN N7Warning: the Pi SCF computation has failed to converge.NO O7Warning: the Pi SCF computation has failed to converge.OP P7Warning: the Pi SCF computation has failed to converge.PQ Q7Warning: the Pi SCF computation has failed to converge.QR R7Warning: the Pi SCF computation has failed to converge.RS S7Warning: the Pi SCF computation has failed to converge.ST T7Warning: the Pi SCF computation has failed to converge.TU U7Warning: the Pi SCF computation has failed to converge.UV V7Warning: the Pi SCF computation has failed to converge.VW W7Warning: the Pi SCF computation has failed to converge.WX X7Warning: the Pi SCF computation has failed to converge.XY Y7Warning: the Pi SCF computation has failed to converge.YZ Z7Warning: the Pi SCF computation has failed to converge.Z[ [7Warning: the Pi SCF computation has failed to converge.[\ \7Warning: the Pi SCF computation has failed to converge.\] ]7Warning: the Pi SCF computation has failed to converge.]^ ^7Warning: the Pi SCF computation has failed to converge.^_ _ Stretch: 7.5340_` ` Bend: 17.0170`a a Stretch-Bend: -21.3871ab b Torsion: -22.8011bc c Non-1,4 VDW: -4.3642cd d 1,4 VDW: 0.3829de e Charge/Charge: 0.0000ef f Charge/Dipole: 2.1969fg g Dipole/Dipole: -3.6186gh hTotal: -25.0401hi i%d,1adnbpDNIWOdnbtDNIWVTMpDNIWllunGSMc