%chk=000052065.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000052065 0 1 O 5.100200 2.264500 0.5060000 O 7.457000 0.8728000 2.4400000E-02 N 0.3175000 -1.924100 -0.2872000 N 1.395200 -1.134100 -0.1461000 N -5.844000 1.2200000E-02 2.938200 N -4.711000 0.8615000 -2.911700 N -7.994800 1.625700 -3.2200001E-02 C 3.811900 -1.054200 -0.2586000 C 5.068400 0.9435000 0.1749000 C 3.840200 0.2894000 7.8599997E-02 C 6.251400 0.2451000 -6.7100003E-02 C -0.9790000 -1.407300 -8.5199997E-02 C 4.978100 -1.761300 -0.5020000 C -3.543800 -0.3850000 0.3144000 C 6.206200 -1.107200 -0.4057000 C -2.091300 -2.235900 -0.2338000 C -1.149200 -6.7400001E-02 0.2635000 C -3.373600 -1.724700 -3.4100000E-02 C -2.431700 0.4437000 0.4633000 C 2.514600 -1.745000 -0.3622000 C -4.880900 0.1480000 0.5228000 C 5.046600 3.203100 -0.5666000 C 8.098900 0.8611000 1.297900 C -5.617100 0.6993000 -0.4884000 C -5.425400 7.8299999E-02 1.857700 C -5.114000 0.7875000 -1.825800 C -6.930200 1.210400 -0.2349000 H 2.929900 0.8505000 0.2715000 H 4.955700 -2.814700 -0.7668000 H 7.123800 -1.657300 -0.5964000 H -1.971900 -3.281700 -0.5051000 H -0.3060000 0.6067000 0.3878000 H -4.230000 -2.384200 -0.1541000 H -2.547400 1.490400 0.7346000 H 2.549000 -2.816700 -0.6354000 H 0.4080000 -2.901800 -0.5403000 H 4.110500 3.095600 -1.123700 H 5.901000 3.070600 -1.237900 H 5.087800 4.210200 -0.1428000 H 8.315100 -0.1660000 1.608800 H 7.475900 1.357800 2.048300 H 9.042800 1.406200 1.210900 %chk=000052065-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000052065 0 1 O 5.213434 2.094218 0.928244 O 7.665522 0.616423 0.270370 N 0.244398 -1.770658 -0.823055 N 1.406230 -1.094193 -0.515038 N -4.829011 2.804435 1.511400 N -6.789388 -2.374590 -1.022829 N -8.347512 1.276198 0.806282 C 3.838410 -1.053980 -0.533687 C 5.181296 0.814209 0.328784 C 3.931189 0.233376 0.067497 C 6.382867 0.094715 0.027027 C -1.001914 -1.223853 -0.534962 C 5.037442 -1.738070 -0.882124 C -3.603606 -0.161720 0.029199 C 6.293072 -1.168104 -0.600372 C -2.177760 -1.958798 -0.874366 C -1.134137 0.049994 0.091352 C -3.444668 -1.440452 -0.598907 C -2.406328 0.557642 0.361730 C 2.549756 -1.682973 -0.816895 C -4.902978 0.435743 0.343094 C 5.790051 3.158845 0.070855 C 7.964820 0.976165 1.680211 C -6.197438 -0.075576 0.108134 C -4.872291 1.733025 0.982921 C -6.486694 -1.333891 -0.511159 C -7.361832 0.671995 0.494231 H 3.023806 0.789603 0.319662 H 4.983935 -2.723737 -1.359696 H 7.224328 -1.689622 -0.841466 H -2.090554 -2.940503 -1.355566 H -0.233148 0.608884 0.351148 H -4.313479 -2.038916 -0.876152 H -2.485907 1.537451 0.844163 H 2.580523 -2.681522 -1.299032 H 0.284432 -2.698117 -1.272840 H 5.160744 3.302078 -0.827292 H 6.823849 2.910894 -0.231295 H 5.776241 4.069596 0.687900 H 7.995807 0.059283 2.297480 H 7.211259 1.675206 2.081879 H 8.959634 1.444793 1.652673