%chk=000027938.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000027938 0 1 C 0.6472000 -0.1039000 0.2246000 C -0.4031000 0.9445000 -0.1697000 C -1.803500 0.5616000 0.3302000 C 0.2389000 -1.498500 -0.2668000 C -2.196200 -0.8370000 -0.1623000 C -1.153900 -1.882500 0.2248000 C 2.022100 0.2784000 -0.3212000 C -2.835600 1.597600 -0.1116000 C 2.411000 1.680800 0.1405000 C 3.073200 -0.7409000 0.1115000 H 0.6956000 -0.1335000 1.322700 H -0.4177000 1.066900 -1.260700 H -0.1604000 1.921400 0.2621000 H -1.787700 0.5494000 1.428300 H 0.9313000 -2.265600 9.4200000E-02 H 0.2591000 -1.533300 -1.363400 H -2.311900 -0.8300000 -1.253800 H -3.167800 -1.122600 0.2580000 H 1.998100 0.2859000 -1.419000 H -1.138800 -1.996300 1.315800 H -1.436900 -2.855300 -0.1933000 H -2.576500 2.591200 0.2688000 H -2.897400 1.658400 -1.203500 H -3.829800 1.342000 0.2700000 H 2.297800 1.795500 1.223800 H 3.458200 1.891000 -0.1057000 H 1.821100 2.455400 -0.3587000 H 3.050700 -0.9087000 1.193600 H 4.079100 -0.3915000 -0.1479000 H 2.944700 -1.702500 -0.3939000 %chk=000027938-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000027938 0 1 C 0.648979 -0.104559 0.224981 C -0.438419 0.930231 -0.176609 C -1.860189 0.556344 0.316341 C 0.219031 -1.518428 -0.254100 C -2.248823 -0.856546 -0.182109 C -1.196077 -1.906613 0.235349 C 2.065625 0.291347 -0.307396 C -2.897227 1.616860 -0.111960 C 2.498797 1.702548 0.164624 C 3.151678 -0.736721 0.100664 H 0.707102 -0.125134 1.338063 H -0.456428 1.019073 -1.285629 H -0.180558 1.931297 0.218175 H -1.832934 0.523055 1.428327 H 0.942493 -2.279115 0.093380 H 0.239809 -1.538430 -1.365330 H -2.330355 -0.835412 -1.289973 H -3.248483 -1.134197 0.207755 H 2.008381 0.305484 -1.418654 H -1.187317 -1.991928 1.342203 H -1.470346 -2.904898 -0.158733 H -2.631900 2.619732 0.272857 H -2.953883 1.684076 -1.216050 H -3.907776 1.365761 0.262110 H 2.483873 1.766769 1.270488 H 3.529433 1.923118 -0.170424 H 1.844214 2.498312 -0.231008 H 3.182054 -0.856100 1.201678 H 4.151371 -0.396094 -0.227497 H 2.978776 -1.731935 -0.344124