%chk=000083653.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000083653 0 1 S 0.5389000 -1.756700 1.9999999E-04 O -2.114000 1.092300 5.0000002E-04 C 0.8477000 0.7938000 -1.9999999E-04 C -0.1274000 -0.1792000 -1.9999999E-04 C 2.159200 0.2369000 -9.9999997E-05 C 0.5795000 2.252300 0.000000 C -1.548100 -3.4699999E-02 -9.9999997E-05 C 2.136400 -1.140400 1.9999999E-04 C -2.472300 -1.264400 -1.9999999E-04 H 3.077200 0.8110000 -9.9999997E-05 H 1.511000 2.828800 -1.9999999E-04 H 1.3300000E-02 2.544600 -0.8904000 H 1.3800000E-02 2.544500 0.8907000 H 2.981600 -1.814100 3.9999999E-04 H -2.309100 -1.860500 0.9013000 H -2.308600 -1.860800 -0.9016000 H -3.514200 -0.9287000 -6.0000003E-04 %chk=000083653-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000083653 0 1 S 0.575686 -1.873386 0.000057 O -2.116145 1.157786 -0.000063 C 0.848075 0.788044 0.000047 C -0.154224 -0.203357 0.000098 C 2.174406 0.223446 0.000019 C 0.589501 2.275727 0.000018 C -1.615723 -0.012839 0.000128 C 2.210056 -1.164108 0.000072 C -2.512358 -1.249237 -0.000202 H 3.077582 0.839171 -0.000005 H 1.540295 2.836052 -0.000312 H -0.011171 2.575183 -0.876803 H -0.010607 2.575307 0.877191 H 3.078601 -1.820846 0.000105 H -2.322416 -1.876853 0.890792 H -2.321625 -1.877070 -0.890865 H -3.565033 -0.928321 -0.000676