%chk=000107376.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107376 0 1 S -1.982400 -2.265500 -3.0000000E-03 S 1.898200 2.271900 0.2931000 O -2.728000 1.586400 -0.6281000 O 2.768200 -1.618300 0.3927000 O -3.381400 0.1206000 0.9718000 O 3.477900 7.4600004E-02 -0.9313000 C -0.3627000 -0.1019000 -0.7135000 C 0.3145000 -1.4700000E-02 0.6665000 C -1.808300 -0.6108000 -0.7566000 C 1.757200 0.5131000 0.7553000 C -2.712700 0.3672000 -2.3300000E-02 C 2.759600 -0.3226000 -2.3499999E-02 H -0.3282000 0.8871000 -1.185700 H 0.2486000 -0.7505000 -1.355000 H 0.3148000 -1.015600 1.115100 H -0.3127000 0.5984000 1.327200 H -2.158800 -0.6848000 -1.791600 H 2.074300 0.4695000 1.804400 H -1.162200 -2.905900 -0.8490000 H 1.624000 2.118300 -1.010500 H -3.320300 2.216000 -0.1644000 H 3.408100 -2.160400 -0.1160000 %chk=000107376-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107376 0 1 S -1.860334 -2.318457 -0.410145 S 2.221879 2.128439 0.033997 O -3.122119 1.494070 -0.457473 O 3.471415 -1.229286 0.997365 O -3.171162 -0.129067 1.205937 O 2.568295 -0.990112 -1.127052 C -0.376165 0.135431 -0.773507 C 0.223276 0.110125 0.648299 C -1.806661 -0.465195 -0.850440 C 1.735677 0.419801 0.739679 C -2.763282 0.253288 0.091322 C 2.601642 -0.640834 0.076423 H -0.435756 1.179635 -1.137423 H 0.270958 -0.425647 -1.471300 H 0.053432 -0.891672 1.094522 H -0.299354 0.840805 1.293528 H -2.187237 -0.352951 -1.878586 H 2.032599 0.495816 1.797016 H -1.111597 -2.688650 -1.518631 H 2.030649 1.785816 -1.295546 H -3.717282 1.976656 0.178647 H 4.028826 -1.915910 0.537968