%chk=000118690.chk %nprocshared=8 %mem=28GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000118690 0 1 S -2.087000 -0.2285000 0.6407000 F -0.1325000 -2.354200 -0.5609000 F 1.080200 -0.9266000 -1.649700 F -1.506800 -0.5046000 -1.865800 F -0.4802000 1.132600 -0.8767000 F 0.4715000 -1.194100 1.803200 F 2.150600 -1.887900 0.6303000 F 0.9626000 1.383500 1.134500 F 2.587300 0.3188000 2.101100 F 2.202200 1.212000 -1.280200 F 3.344100 2.145200 0.3132000 F 4.867900 0.6316000 -1.369100 F 4.801300 -0.1265000 0.6678000 F 3.675600 -1.136200 -0.9033000 O -1.661100 0.6926000 1.677700 O -2.318200 -1.625300 0.9573000 O -6.203400 -9.3400002E-02 0.5066000 N -3.493300 0.4144000 -0.1069000 C 0.3083000 -1.062600 -0.5336000 C -0.8974000 -0.1471000 -0.6991000 C 1.202600 -0.9088000 0.6889000 C 1.903700 0.4226000 0.9233000 C 2.869100 0.9449000 -0.1299000 C -4.326600 -0.4910000 -0.9350000 C -3.455100 1.795500 -0.6454000 C 4.060100 7.4100003E-02 -0.4455000 C -5.407100 -1.118600 -7.3500000E-02 C -4.518500 2.637500 3.0200001E-02 H -4.805200 6.1900001E-02 -1.751400 H -3.714200 -1.270000 -1.399200 H -2.486700 2.256400 -0.4270000 H -3.563900 1.813500 -1.734700 H -4.980600 -1.718900 0.7354000 H -6.052700 -1.759600 -0.6821000 H -5.522900 2.307700 -0.2506000 H -4.435100 2.584400 1.120800 H -4.418900 3.685600 -0.2697000 H -6.886600 -0.5315000 1.042100 %chk=000118690-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000118690 0 1 S -2.248124 0.041018 0.849003 F -0.152020 -2.231126 -0.739041 F 1.250031 -0.807667 -1.843882 F -1.479017 -0.160883 -1.884981 F -0.252925 1.398419 -0.765748 F 0.586152 -1.203375 1.710957 F 2.256651 -2.081635 0.414389 F 1.470881 1.340426 1.308423 F 3.013508 -0.128189 2.127017 F 2.721737 1.399925 -1.159276 F 4.032439 1.895419 0.643533 F 5.474920 0.669687 -1.257930 F 5.166488 -0.773821 0.464623 F 4.022991 -1.052309 -1.478921 O -1.805607 1.235848 1.840945 O -2.445970 -1.493131 1.323846 O -6.752511 -0.214706 -0.045158 N -3.765848 0.521802 -0.003104 C 0.439675 -0.945957 -0.674053 C -0.717518 0.078609 -0.717276 C 1.398866 -0.965968 0.577202 C 2.315159 0.263828 0.958672 C 3.388133 0.841509 -0.045698 C -4.457081 -0.586234 -0.714473 C -3.795414 1.917453 -0.524657 C 4.525890 -0.105189 -0.582368 C -5.638357 -1.165675 0.070641 C -5.140606 2.591525 -0.196267 H -4.817674 -0.195706 -1.684365 H -3.747710 -1.408027 -0.925354 H -2.975261 2.478319 -0.040053 H -3.611185 1.909835 -1.618369 H -5.337219 -1.332733 1.122977 H -5.913581 -2.140446 -0.386334 H -5.989384 1.992409 -0.563757 H -5.255272 2.706814 0.894440 H -5.164511 3.591910 -0.666801 H -7.467627 -0.452576 0.595001