%chk=000035064.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000035064 0 1 S -0.1566000 -3.022400 -0.9879000 N 2.596200 0.9662000 0.2912000 N -2.043100 1.535400 -9.8499998E-02 N 0.2799000 1.281900 0.1034000 N -1.110100 -0.5770000 -0.5049000 N 1.263300 -0.8684000 -0.3054000 N -1.860700 -3.755300 1.180100 C 1.340300 0.4436000 2.1000000E-02 C -0.9022000 0.7067000 -0.1702000 C 3.813000 0.1945000 0.2428000 C -3.364600 1.059700 -0.3638000 C 1.7600000E-02 -1.304500 -0.5526000 C 4.962500 1.083100 0.5945000 C -4.326800 2.192300 -0.2030000 C 5.995700 1.325400 -0.2203000 C -5.336600 2.195600 0.6746000 C -1.167700 -3.456700 0.2989000 H 3.770400 -0.6270000 0.9673000 H 3.945200 -0.2419000 -0.7542000 H -3.438500 0.6844000 -1.391200 H -3.618000 0.2347000 0.3129000 H 2.631000 1.951100 0.5309000 H -1.877300 2.502400 0.1578000 H 4.960900 1.542800 1.580000 H -4.203600 3.054500 -0.8541000 H 6.805000 1.973800 9.7099997E-02 H 6.053300 0.8866000 -1.210200 H -6.007100 3.045800 0.7368000 H -5.511900 1.359100 1.342000 %chk=000035064-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000035064 0 1 S 0.046425 -3.119024 -0.399782 N 2.628911 1.217826 -0.308544 N -1.960608 1.511837 0.529062 N 0.338739 1.406536 0.113960 N -1.032648 -0.615338 0.090978 N 1.352858 -0.773307 -0.325525 N -2.804821 -3.697193 0.027626 C 1.415122 0.605380 -0.170373 C -0.862118 0.755783 0.238889 C 3.897696 0.524299 -0.599544 C -3.331027 0.985817 0.690260 C 0.107951 -1.266502 -0.179628 C 4.926675 0.761092 0.489431 C -4.292227 1.630315 -0.289701 C 6.155553 1.292133 0.273910 C -5.414394 2.299715 0.072387 C -1.652614 -3.416138 -0.139423 H 3.651495 -0.548903 -0.682668 H 4.294902 0.860529 -1.576856 H -3.269484 -0.104192 0.524038 H -3.676673 1.153596 1.728511 H 2.633556 2.229994 -0.166119 H -1.800005 2.518216 0.609606 H 4.622152 0.461777 1.502749 H -4.035030 1.514592 -1.352480 H 6.875300 1.424333 1.088881 H 6.481367 1.599895 -0.728093 H -6.093729 2.727282 -0.672868 H -5.693824 2.426048 1.126316