%chk=000067203.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000067203 0 1 S 1.385100 2.846100 1.427300 S 4.070400 -1.863600 -0.3064000 O -1.659200 0.8784000 1.953700 O -1.032600 -3.473500 -1.081600 O 4.187400 -1.558400 -1.906400 O 0.9086000 3.914900 2.285200 O 2.781600 2.802900 1.038400 O 4.988800 -0.9630000 0.3703000 O 4.152000 -3.300500 -0.1094000 N 0.9128000 1.336400 2.104400 N 1.546200 -3.257600 -1.100900 C -0.1253000 -0.5616000 0.8641000 C 3.9799999E-02 -1.698600 7.0400000E-02 C 0.9953000 0.1618000 1.289500 C 1.325600 -2.112100 -0.2982000 C 2.439700 -1.388200 0.1278000 C -1.476300 -0.1138000 1.259700 C -2.649900 -0.8868000 0.8046000 C -2.484800 -2.024000 1.1200000E-02 C -1.133900 -2.471400 -0.3851000 C 2.274900 -0.2537000 0.9199000 C -3.935700 -0.4734000 1.173300 C -3.605400 -2.747800 -0.4137000 C 0.4139000 2.903900 -5.1100001E-02 C -5.049700 -1.197600 0.7479000 C -4.884900 -2.332200 -4.4100001E-02 C -0.8446000 3.475800 -7.6000001E-03 C 0.9329000 2.376300 -1.219600 C -1.105000 2.994500 -2.360600 C -1.610800 3.521200 -1.172400 C 0.1668000 2.422000 -2.384400 C -1.923700 3.043500 -3.606400 H 3.138200 0.2984000 1.277900 H 0.1207000 1.361200 2.758700 H -4.093300 0.4077000 1.789500 H -3.506600 -3.636200 -1.031700 H 2.476300 -3.527900 -1.386500 H 0.7663000 -3.808000 -1.431100 H -6.047000 -0.8761000 1.034100 H -5.754000 -2.894000 -0.3742000 H -1.259800 3.882700 0.9092000 H 1.920500 1.928200 -1.260600 H -2.601900 3.965800 -1.140300 H 0.5711000 2.006400 -3.303600 H 4.067900 -0.6148000 -2.166900 H -2.536100 2.140200 -3.688700 H -2.584200 3.917200 -3.611000 H -1.287400 3.118500 -4.494700 %chk=000067203-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000067203 0 1 S 0.283854 2.847512 1.265224 S 2.964965 -1.192030 -1.576792 O -2.862737 0.180441 1.794799 O -0.984800 -4.747766 0.149305 O 2.158522 -1.180816 -3.248698 O -0.722295 3.777961 2.128812 O 1.723257 2.345784 1.831451 O 3.727867 0.213285 -1.352431 O 3.778676 -2.594489 -1.441925 N -0.801180 1.364458 0.896354 N 1.172853 -3.676005 -0.795751 C -1.096650 -1.074635 0.719151 C -0.606880 -2.356352 0.279924 C -0.325247 0.123595 0.504413 C 0.667199 -2.473771 -0.398699 C 1.367182 -1.233548 -0.602319 C -2.393961 -0.965567 1.417023 C -3.166643 -2.196682 1.689532 C -2.683344 -3.462651 1.253352 C -1.391170 -3.580358 0.529460 C 0.923968 0.005363 -0.180050 C -4.402756 -2.111267 2.380750 C -3.443985 -4.630732 1.511739 C 0.571479 3.631433 -0.425709 C -5.149414 -3.276202 2.636537 C -4.668951 -4.539067 2.199723 C -0.461774 4.406592 -0.974537 C 1.821651 3.448558 -1.038538 C 1.011215 4.843783 -2.906610 C -0.226067 5.011588 -2.228296 C 2.027499 4.064891 -2.291820 C 1.239109 5.474172 -4.267414 H 1.541033 0.884483 -0.378169 H -1.714545 1.344218 1.424608 H -4.749159 -1.124884 2.703134 H -3.050523 -5.590288 1.163788 H 2.124982 -3.738731 -1.172805 H 0.571588 -4.497729 -0.603819 H -6.101674 -3.209453 3.172969 H -5.252697 -5.443830 2.399575 H -1.404616 4.548503 -0.437016 H 2.617114 2.876179 -0.548641 H -1.012353 5.625113 -2.682060 H 2.994440 3.940315 -2.791589 H 2.881676 -1.289206 -3.933898 H 1.019871 4.749688 -5.075426 H 0.587115 6.350164 -4.424715 H 2.287008 5.797181 -4.393998