%chk=000170918.chk %nprocshared=4 %mem=7500MB #p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000170918 1 1 S 0.1426000 -1.836100 0.2348000 S 2.710800 -0.3737000 -5.9200000E-02 O 3.152000 -1.948100 4.8900001E-02 O 3.159800 9.5500000E-02 -1.366800 O 3.164100 0.2979000 1.153800 N 0.1447000 0.6324000 -0.2084000 C -1.188800 0.2994000 -0.1319000 C 0.9786000 -0.3702000 -3.8800001E-02 C 0.6105000 1.978000 -0.4538000 C -1.392000 -1.053000 0.1134000 C -2.273400 1.176300 -0.2756000 C 0.8064000 2.739800 0.8431000 C -2.684800 -1.583400 0.2249000 C -3.564700 0.6515000 -0.1653000 C -3.765800 -0.7064000 8.0899999E-02 H 1.546900 1.968900 -1.018300 H -9.1600001E-02 2.512300 -1.102500 H -2.152100 2.238600 -0.4590000 H -0.1385000 2.831300 1.388400 H 1.177300 3.748800 0.6381000 H 1.518900 2.244100 1.506100 H -2.849600 -2.638800 0.4166000 H -4.422100 1.311200 -0.2707000 H -4.779100 -1.091500 0.1633000 H 2.841600 -2.524400 -0.6887000 %chk=000170918-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000170918 1 1 S 0.061553 -2.016711 0.105792 S 2.813441 -0.370500 -0.244764 O 2.912502 -2.187158 -0.065435 O 3.234700 0.123512 -1.717029 O 3.329922 0.399411 1.070478 N 0.130933 0.597755 -0.275675 C -1.258981 0.311732 -0.151568 C 0.908400 -0.495454 -0.158560 C 0.645393 2.008512 -0.457262 C -1.501291 -1.077307 0.057751 C -2.331861 1.231015 -0.224184 C 0.752923 2.754519 0.885264 C -2.804303 -1.589097 0.197818 C -3.634155 0.720785 -0.083796 C -3.870189 -0.668226 0.124227 H 1.620608 1.949975 -0.969054 H -0.052901 2.501982 -1.153161 H -2.167688 2.300180 -0.381178 H -0.218294 2.823102 1.403310 H 1.103884 3.781108 0.683245 H 1.486351 2.273057 1.553076 H -2.992564 -2.654333 0.356735 H -4.484721 1.406548 -0.135174 H -4.897342 -1.029586 0.228891 H 3.865378 -2.494423 -0.076446