%chk=000025815.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000025815 0 1 S 0.5249000 -0.3784000 -1.056800 S 3.782400 0.9087000 -1.388300 P 2.351900 0.2908000 -0.1958000 O 1.963500 1.405700 0.9356000 O 2.862900 -0.8885000 0.8151000 O -3.678900 6.3600004E-02 1.273000 N -2.623000 -0.5929000 -0.6963000 C -1.774700 -1.611700 -0.1394000 C -0.4210000 -1.079100 0.3103000 C -3.508100 0.1627000 6.0699999E-02 C -4.254700 1.174800 -0.7663000 C 1.447700 2.669000 0.5500000 C 3.327100 -2.124800 0.2982000 H -0.5510000 -0.3024000 1.071100 H 0.1605000 -1.891100 0.7577000 H -2.286100 -2.064200 0.7177000 H -1.655300 -2.392500 -0.8990000 H -2.550100 -0.4129000 -1.693500 H -5.096400 1.570900 -0.1916000 H -3.581500 1.994300 -1.032200 H -4.641800 0.7106000 -1.678000 H 0.9471000 3.117400 1.411900 H 0.7252000 2.566200 -0.2631000 H 2.266600 3.322300 0.2392000 H 2.727700 -2.444100 -0.5576000 H 3.250800 -2.880300 1.084100 H 4.374500 -2.028600 2.0999999E-03 %chk=000025815-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000025815 0 1 S -0.069824 1.508252 -0.883720 S 3.445709 1.148884 -1.994243 P 1.984989 0.573664 -0.656652 O 2.380761 0.771231 1.040716 O 1.538732 -1.105860 -0.565128 O -4.291599 -0.271093 0.947795 N -2.514704 -0.616158 -0.510854 C -1.496513 -0.551648 0.543247 C -0.892061 0.852157 0.714127 C -3.865708 -0.457790 -0.234003 C -4.800555 -0.538374 -1.437510 C 3.165334 1.961294 1.437318 C 2.642582 -2.092836 -0.442526 H -1.669649 1.603231 0.935062 H -0.123398 0.869294 1.504697 H -1.993712 -0.825396 1.492352 H -0.692937 -1.276028 0.327437 H -2.199821 -0.704689 -1.477894 H -5.491306 -1.388350 -1.299485 H -5.414930 0.377082 -1.479125 H -4.272714 -0.661233 -2.399039 H 3.415319 1.790426 2.495055 H 2.561740 2.881083 1.331666 H 4.084500 2.043114 0.829507 H 3.355499 -1.979295 -1.279135 H 2.144888 -3.072274 -0.496013 H 3.159579 -1.973185 0.525148