FCs in Cartesian coordinates: imidazole, hf/6-31g* 1 2 3 4 5 1 0.690508D+00 2 -0.896258D-01 0.102875D+01 3 -0.543971D-02 -0.332915D-01 0.139760D+00 4 -0.136576D+00 0.125484D+00 -0.316994D-02 0.137246D+00 5 0.135972D+00 -0.340601D+00 0.992207D-02 -0.147528D+00 0.345068D+00 6 -0.357915D-02 0.100917D-01 -0.302485D-01 0.392590D-02 -0.101342D-01 7 -0.172202D+00 -0.134282D+00 0.670763D-02 0.161435D-01 0.186193D-01 8 -0.111307D+00 -0.432560D+00 0.154996D-01 -0.786240D-02 -0.704079D-02 9 0.581123D-02 0.158715D-01 -0.822258D-01 0.524940D-04 -0.977020D-05 10 -0.498555D-03 0.137552D-02 -0.225718D-04 -0.363956D-03 -0.829529D-03 11 -0.281629D-01 0.357290D-02 0.371934D-03 0.743807D-03 -0.129707D-03 12 0.112998D-02 -0.106213D-03 0.140826D-02 -0.756840D-04 -0.108203D-03 13 -0.331295D+00 0.223653D-01 0.350905D-02 -0.107436D-01 -0.432970D-02 14 0.204467D-01 -0.136131D+00 0.261739D-02 0.373051D-01 0.944347D-02 15 0.358407D-02 0.258635D-02 -0.607277D-01 -0.134983D-02 -0.462708D-03 16 -0.415891D-02 -0.298436D-01 0.108731D-02 0.494066D-03 0.108565D-02 17 0.398011D-02 0.145503D-01 -0.980573D-03 -0.400963D-03 -0.285902D-03 18 -0.232580D-03 -0.433142D-03 -0.890854D-02 -0.113000D-04 -0.521054D-04 19 -0.637679D-01 0.188475D-01 0.598284D-03 -0.848764D-02 -0.314143D-02 20 0.803101D-01 -0.578994D-01 0.168571D-02 -0.430274D-02 -0.112843D-02 21 -0.179999D-02 0.268076D-02 0.185424D-01 0.353824D-03 0.211988D-03 22 0.107784D-02 -0.304308D-03 0.472115D-04 0.226588D-03 0.315825D-04 23 -0.365340D-02 -0.712963D-02 0.464534D-03 0.172925D-02 0.479563D-03 24 0.177736D-03 0.410319D-03 0.324224D-02 -0.386130D-04 0.591866D-04 25 0.169131D-01 0.859837D-01 -0.331727D-02 0.206083D-02 0.120273D-03 26 -0.795929D-02 -0.725523D-01 0.371086D-02 -0.516781D-02 -0.580513D-02 27 0.348415D-03 0.219021D-02 0.191577D-01 0.313147D-03 0.573786D-03 6 7 8 9 10 6 0.244802D-01 7 -0.980839D-03 0.933769D+00 8 0.418975D-03 0.171041D+00 0.761921D+00 9 0.432483D-03 -0.191060D-01 -0.260324D-01 0.167048D+00 10 -0.142974D-04 -0.360876D+00 -0.100533D+00 0.913763D-02 0.383794D+00 11 -0.133677D-03 -0.104645D+00 -0.106949D+00 0.435669D-02 0.103811D+00 12 -0.324145D-02 0.929811D-02 0.429017D-02 -0.390261D-01 -0.979146D-02 13 0.274659D-03 -0.708814D-01 -0.883895D-01 0.484304D-02 0.955272D-03 14 -0.113653D-02 -0.703975D-02 -0.416320D-01 0.233367D-02 -0.926479D-03 15 -0.417128D-02 0.166907D-02 0.365018D-02 0.150864D-01 0.129330D-03 16 -0.693103D-04 -0.942244D-02 0.175616D-02 0.118839D-03 0.190413D-03 17 -0.280411D-04 0.555149D-02 0.629509D-03 -0.303954D-04 0.769304D-04 18 -0.116869D-02 -0.292436D-04 0.310678D-04 0.215266D-02 0.349200D-04 19 0.308531D-03 -0.118974D+00 0.511753D-01 0.113037D-03 -0.288819D-02 20 0.230715D-03 -0.330038D-01 0.404113D-01 -0.599246D-03 0.453096D-02 21 0.298729D-02 0.339748D-02 -0.196186D-02 0.113858D-01 -0.377906D-04 22 0.276314D-04 -0.272161D-02 -0.436814D-02 0.363264D-03 -0.759770D-03 23 0.317000D-04 -0.425761D-02 -0.119680D-02 0.474174D-03 -0.847226D-03 24 0.200781D-02 0.358906D-03 0.476071D-03 0.916407D-02 0.606126D-04 25 0.106870D-03 -0.214835D+00 0.884881D-01 -0.133348D-02 -0.195537D-01 26 0.659368D-03 0.880164D-01 -0.213584D+00 0.363574D-02 -0.665776D-02 27 0.892213D-02 -0.131507D-02 0.362815D-02 -0.840179D-01 0.503634D-03 11 12 13 14 15 11 0.980273D-01 12 -0.436857D-02 0.294640D-01 13 -0.303773D-02 0.211722D-03 0.886079D+00 14 -0.657398D-02 0.533432D-03 0.204206D+00 0.959441D+00 15 0.567587D-03 0.668759D-02 -0.208174D-01 -0.371427D-01 0.940054D-01 16 -0.141584D-02 0.931626D-04 -0.289366D+00 -0.218133D+00 0.131463D-01 17 0.998093D-03 0.586489D-04 -0.216997D+00 -0.334842D+00 0.164600D-01 18 0.828212D-04 0.252948D-02 0.131021D-01 0.164785D-01 -0.386215D-02 19 0.551892D-02 -0.763502D-04 -0.154523D+00 0.672342D-01 -0.132454D-02 20 -0.461112D-02 0.328986D-03 0.600574D-01 -0.348005D+00 0.970753D-02 21 0.313014D-03 0.568847D-02 -0.104461D-02 0.959131D-02 -0.746459D-01 22 0.100157D-02 -0.115270D-04 0.334893D-02 -0.834237D-03 -0.134306D-04 23 0.108410D-02 0.817182D-05 0.385679D-01 -0.779977D-02 -0.300002D-03 24 -0.217559D-04 0.942026D-03 -0.155063D-02 0.337642D-03 0.521729D-03 25 0.261864D-01 -0.777947D-03 -0.335738D-01 -0.102258D+00 0.497644D-02 26 0.145813D-01 -0.636422D-03 -0.124423D-01 -0.939008D-01 0.493381D-02 27 -0.116804D-02 -0.445232D-02 0.147208D-02 0.638731D-02 0.271058D-01 16 17 18 19 20 16 0.282468D+00 17 0.235759D+00 0.333535D+00 18 -0.135771D-01 -0.163625D-01 0.128393D-01 19 0.172841D-01 -0.302623D-01 0.743204D-03 0.108182D+01 20 0.392265D-02 -0.598745D-02 -0.210164D-03 -0.392208D-01 0.745159D+00 21 -0.590573D-03 0.343365D-03 -0.974769D-02 -0.130740D-01 -0.214313D-01 22 -0.455390D-03 0.111220D-02 -0.636818D-04 -0.350626D+00 0.110485D+00 23 -0.273826D-03 0.142159D-03 -0.677818D-04 0.106560D+00 -0.114241D+00 24 -0.960353D-05 -0.902194D-04 -0.170503D-02 0.881212D-03 0.113561D-02 25 0.296655D-02 0.118071D-02 0.337265D-04 -0.399840D+00 -0.182779D+00 26 0.714307D-02 -0.873882D-02 0.533340D-03 -0.176712D+00 -0.253698D+00 27 -0.198998D-03 0.629789D-03 0.787065D-02 0.118306D-01 0.915213D-02 21 22 23 24 25 21 0.180690D+00 22 0.728351D-03 0.372848D+00 23 0.119905D-02 -0.116020D+00 0.112706D+00 24 -0.393624D-01 -0.104278D-02 -0.139753D-02 0.288301D-01 25 0.120673D-01 -0.229386D-01 -0.218057D-01 0.116316D-02 0.668801D+00 26 0.905363D-02 0.889562D-02 0.159554D-01 -0.909327D-03 0.104884D+00 27 -0.955375D-01 -0.350392D-04 -0.412322D-03 -0.364056D-02 -0.129188D-01 26 27 26 0.617742D+00 27 -0.209810D-01 0.124592D+00