%chk=000064792.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000064792 0 1 S -0.1705000 1.079100 4.0199999E-02 O 0.1359000 1.688100 1.316200 O 0.2048000 1.652700 -1.233900 O -1.038400 -2.678600 6.4300001E-02 O 1.623300 -2.468700 -0.1459000 O 4.299800 0.8975000 0.7231000 N 0.1825000 -0.6124000 6.9799997E-02 C -1.884900 0.7741000 4.4999998E-03 C -2.177300 -0.5869000 2.3000000E-02 C -0.9880000 -1.460300 5.6600001E-02 C -2.861800 1.748200 -3.2299999E-02 C 1.465800 -1.257200 -4.1700002E-02 C -3.492900 -1.018500 2.7000001E-03 C 2.607300 -0.3567000 -4.7200002E-02 C -4.189600 1.319900 -5.2299999E-02 C -4.502900 -5.1399998E-02 -3.5100002E-02 C 3.237200 0.2581000 -1.151600 C 3.286900 6.1000001E-02 1.070100 C 4.262900 1.012100 -0.6306000 H -2.617800 2.804000 -4.4700000E-02 H -3.746700 -2.073000 1.4700000E-02 H -4.992100 2.052000 -8.1500001E-02 H -5.544300 -0.3620000 -5.1600002E-02 H 2.980400 0.1675000 -2.197300 H 3.183500 -0.1315000 2.128300 H 5.015500 1.653000 -1.066100 %chk=000064792-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000064792 0 1 S -0.294161 1.401610 -0.096959 O 0.204782 2.057376 1.301923 O 0.058445 2.155910 -1.482762 O -0.947406 -2.602244 -0.079686 O 1.485043 -1.886242 -1.620565 O 4.158259 0.960060 0.899862 N 0.191155 -0.526831 -0.217988 C -2.091396 0.875034 0.042401 C -2.207270 -0.522455 0.050817 C -0.960465 -1.346948 -0.098358 C -3.164741 1.763943 0.155854 C 1.459767 -0.952041 -0.779421 C -3.495409 -1.085306 0.182914 C 2.658714 -0.246911 -0.314939 C -4.451635 1.181946 0.282094 C -4.611310 -0.226415 0.296397 C 3.955581 -0.339549 -0.968810 C 2.832883 0.549944 0.817764 C 4.835170 0.402784 -0.216038 H -3.028021 2.848966 0.149811 H -3.593941 -2.175508 0.188601 H -5.327337 1.832517 0.371507 H -5.614020 -0.653599 0.395784 H 4.163366 -0.898066 -1.878335 H 2.171845 0.896855 1.607565 H 5.890703 0.645269 -0.287733