%chk=000056706.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000056706 0 1 O -3.115700 -2.122300 1.611200 O 1.399400 -0.1020000 -1.437200 O 2.659000 2.986400 0.9683000 O 1.437300 1.076700 1.131800 N -4.506100 1.091500 -1.166300 N -1.100400 -1.136500 0.9782000 N 2.047400 -2.069600 -0.3934000 C -4.107700 -0.3001000 -0.8089000 C -3.825600 2.009100 -0.2132000 C -3.164500 -0.1461000 0.3418000 C -3.001300 1.132000 0.6797000 C -5.375800 -1.064700 -0.4134000 C -3.435300 -0.9747000 -2.011700 C -2.936300 2.964900 -1.012900 C -4.858300 2.796400 0.6011000 C -2.485100 -1.227400 1.035600 C -0.2101000 -2.093400 1.595300 C 0.1521000 -3.245100 0.6600000 C 0.8323000 -2.798900 -0.6325000 C 2.234000 -0.7605000 -0.8222000 C 3.556500 -0.1552000 -0.5196000 C 3.665600 0.9928000 0.2652000 C 4.703300 -0.7581000 -1.036700 C 4.921500 1.537800 0.5330000 C 5.959000 -0.2129000 -0.7690000 C 6.068100 0.9350000 1.5699999E-02 C 2.486800 1.645300 0.8201000 H -5.517200 1.203500 -1.101400 H -2.372500 1.497600 1.479600 H -5.863800 -0.6217000 0.4634000 H -5.151600 -2.109900 -0.1710000 H -6.106700 -1.074800 -1.231100 H -4.111000 -1.010800 -2.874200 H -2.531300 -0.4364000 -2.321400 H -3.141800 -2.004700 -1.777700 H -2.394200 3.648800 -0.3490000 H -2.188400 2.423600 -1.605500 H -3.529000 3.574800 -1.704700 H -4.368500 3.468400 1.315800 H -5.515300 2.130600 1.173800 H -5.492800 3.410100 -4.8999999E-02 H -0.6729000 -0.3689000 0.4676000 H -0.6931000 -2.494400 2.493300 H 0.6841000 -1.550800 1.917400 H -0.7530000 -3.808300 0.4021000 H 0.8146000 -3.933200 1.199300 H 0.1439000 -2.208000 -1.245700 H 1.106900 -3.683500 -1.217500 H 2.804100 -2.549100 8.5900001E-02 H 4.634900 -1.650400 -1.653800 H 5.041900 2.423100 1.151800 H 6.851900 -0.6819000 -1.171900 H 7.046300 1.357500 0.2263000 H 1.861300 3.417700 1.342700 %chk=000056706-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000056706 0 1 O -3.059194 -2.439014 0.967342 O 1.157592 0.209066 -0.431592 O 3.117224 1.761561 3.277271 O 2.094618 -0.167946 2.499497 N -4.817451 0.958580 -1.222815 N -1.047508 -1.323134 0.614008 N 2.294189 -1.829969 -0.552106 C -4.622888 -0.335894 -0.479357 C -3.618568 1.851827 -1.133140 C -3.122757 -0.280181 -0.152959 C -2.587717 0.918356 -0.515533 C -5.478915 -0.398427 0.819736 C -4.976940 -1.536218 -1.396542 C -3.180888 2.331522 -2.545007 C -3.863787 3.089171 -0.215224 C -2.420519 -1.426054 0.512127 C -0.221478 -2.357217 1.249137 C 0.391433 -3.343412 0.219699 C 1.128515 -2.649153 -0.951085 C 2.229708 -0.473290 -0.328331 C 3.562989 0.200548 -0.057541 C 3.842442 0.894099 1.156572 C 4.503642 0.258617 -1.113174 C 5.035675 1.649709 1.280303 C 5.699570 1.000270 -0.978053 C 5.962254 1.704600 0.218203 C 2.928073 0.751859 2.324855 H -5.707578 1.424685 -1.012005 H -1.547031 1.236492 -0.388984 H -5.239980 0.448215 1.489813 H -5.279531 -1.340974 1.356571 H -6.556115 -0.355264 0.565345 H -6.048360 -1.493906 -1.667217 H -4.388932 -1.483944 -2.329239 H -4.770869 -2.490629 -0.882518 H -2.244459 2.920245 -2.501078 H -3.028524 1.460098 -3.203366 H -3.970632 2.964036 -2.991163 H -2.957626 3.718650 -0.138983 H -4.152563 2.769422 0.801934 H -4.674980 3.716918 -0.632835 H -0.533697 -0.535965 0.194529 H -0.864253 -2.922634 1.945230 H 0.576090 -1.856481 1.824431 H -0.419554 -3.957112 -0.218124 H 1.077994 -4.034920 0.748395 H 0.427604 -1.978570 -1.477882 H 1.480477 -3.407375 -1.675187 H 3.176329 -2.304756 -0.348175 H 4.283131 -0.255228 -2.055114 H 5.227596 2.177706 2.218153 H 6.413859 1.036685 -1.807487 H 6.882171 2.288575 0.324310 H 2.497019 1.605457 4.039455