%chk=000156132.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000156132 0 1 F 4.764800 -0.2107000 2.6000001E-02 O -1.323100 1.401900 -3.0900000E-02 N -1.661400 -0.8593000 -6.7800000E-02 C -2.987400 -0.2161000 1.2500000E-02 C -2.711100 1.249000 -0.3002000 C -3.925200 -0.8549000 -1.006100 C -3.526600 -0.4052000 1.433500 C -0.8345000 0.1384000 -3.9700001E-02 C 0.6322000 4.7100000E-02 -2.0900000E-02 C 1.265000 -1.202600 -3.2900002E-02 C 1.415000 1.208300 7.6000001E-03 C 2.657000 -1.289500 -1.6700000E-02 C 2.807200 1.121400 2.3800001E-02 C 3.428100 -0.1276000 1.1800000E-02 H -2.883000 1.505200 -1.351700 H -3.287500 1.938700 0.3243000 H -4.908000 -0.3715000 -0.9968000 H -3.519000 -0.7788000 -2.021200 H -4.067600 -1.921200 -0.7966000 H -2.852100 3.1599998E-02 2.178900 H -4.508100 6.7299999E-02 1.549000 H -3.630800 -1.468800 1.675900 H 0.6859000 -2.122300 -5.5300001E-02 H 0.9661000 2.198000 1.7500000E-02 H 3.141100 -2.261600 -2.6400000E-02 H 3.408200 2.025600 4.5499999E-02 %chk=000156132-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000156132 0 1 F 4.866454 -0.284568 -0.063798 O -1.310903 1.501892 -0.152727 N -1.642945 -0.792274 0.121297 C -3.035798 -0.209356 0.084144 C -2.798800 1.337617 -0.107169 C -3.802864 -0.827451 -1.105798 C -3.741511 -0.523925 1.422027 C -0.786349 0.186171 -0.009903 C 0.682275 0.078728 -0.026008 C 1.288198 -1.197675 0.126105 C 1.494106 1.231718 -0.190644 C 2.690167 -1.326366 0.114471 C 2.899883 1.117134 -0.204443 C 3.463196 -0.161477 -0.051251 H -3.201651 1.722932 -1.059005 H -3.170453 1.941038 0.738000 H -4.832236 -0.425853 -1.156959 H -3.291790 -0.609912 -2.060502 H -3.859828 -1.923479 -0.990554 H -3.187733 -0.087176 2.272032 H -4.770435 -0.117996 1.424643 H -3.795206 -1.615682 1.573752 H 0.644255 -2.073042 0.252125 H 1.017408 2.208770 -0.306693 H 3.180637 -2.296949 0.229939 H 3.547123 1.989582 -0.329983