%chk=000061039.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000061039 0 1 S -4.327000 -0.5676000 -0.1615000 S 2.536100 -0.5869000 2.136800 P 2.672800 -8.2300000E-02 0.2578000 O 1.455300 0.7932000 -0.3584000 O 3.953600 0.8419000 -0.1389000 O 2.810900 -1.284500 -0.8298000 O -5.073300 0.6447000 -0.6448000 C 0.1235000 0.4803000 -0.3130000 C -2.583100 -0.1570000 -0.2207000 C -0.2706000 -0.8534000 -0.2934000 C -0.8243000 1.498200 -0.2868000 C -1.627600 -1.173000 -0.2472000 C -2.181300 1.178700 -0.2405000 C -4.499400 -0.6137000 1.642300 C 4.041300 2.171700 0.3450000 C 3.793000 -2.290100 -0.6470000 H 0.4413000 -1.669800 -0.3207000 H -0.5152000 2.539500 -0.3006000 H -1.925500 -2.218400 -0.2339000 H -2.905300 1.988600 -0.2152000 H -3.880700 -1.417200 2.049000 H -5.547000 -0.8086000 1.884000 H -4.201900 0.3456000 2.072900 H 4.948400 2.629300 -5.7500001E-02 H 4.099000 2.173900 1.436100 H 3.176500 2.752900 1.5500000E-02 H 3.926200 -2.822900 -1.591800 H 3.459600 -2.999300 0.1145000 H 4.747300 -1.844700 -0.3536000 %chk=000061039-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000061039 0 1 S -4.574900 -0.401475 -0.180753 S 2.538716 -0.209634 2.255417 P 2.681570 0.047630 0.217728 O 1.378033 0.841331 -0.623452 O 3.993910 0.981962 -0.384011 O 2.835099 -1.354126 -0.772995 O -5.215301 1.146181 -0.165653 C 0.014913 0.475841 -0.458671 C -2.689340 -0.102748 -0.265395 C -0.399799 -0.875907 -0.491399 C -0.909204 1.537143 -0.343713 C -1.778526 -1.167308 -0.392306 C -2.286444 1.242370 -0.258087 C -4.617025 -0.920872 1.679461 C 4.377141 2.222308 0.332080 C 3.893750 -2.336315 -0.429215 H 0.340121 -1.673203 -0.614398 H -0.542713 2.567644 -0.333087 H -2.118797 -2.208720 -0.428012 H -3.057406 2.021155 -0.186552 H -4.044058 -1.851338 1.810294 H -5.679906 -1.056959 1.926780 H -4.177706 -0.083187 2.239256 H 5.354836 2.494398 -0.091248 H 4.463700 2.038140 1.418693 H 3.637924 3.017065 0.133580 H 3.686199 -3.203083 -1.073264 H 3.830490 -2.623550 0.636529 H 4.887324 -1.915644 -0.659006