%chk=000053856.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000053856 0 1 Cl -5.788000 -0.9740000 -1.754100 S 1.442200 -1.074400 -0.5687000 O 3.286400 1.132700 -1.817000 O 3.071100 3.262500 -1.318000 O 3.620200 -3.324900 -0.7159000 N 0.1042000 0.8180000 0.8530000 N 1.018300 2.760700 0.3607000 N 2.708900 2.060900 -1.186600 N 2.843300 -3.908100 1.367200 C -0.8069000 -0.1391000 1.489100 C 1.089800 0.5293000 -3.0700000E-02 C 8.7200001E-02 2.157200 1.065500 C -2.045000 -0.3477000 0.6841000 C 1.646700 1.751700 -0.3253000 C -0.8699000 2.814200 1.979400 C -2.086600 -1.350400 -0.2846000 C -3.161000 0.4612000 0.8992000 C 2.663900 -1.603700 0.6662000 C -3.244300 -1.544300 -1.038300 C -4.318600 0.2671000 0.1455000 C -4.360200 -0.7355000 -0.8232000 C 3.098200 -3.013400 0.3526000 H -1.041200 0.2096000 2.499500 H -0.2721000 -1.082200 1.646500 H -1.031200 2.267100 2.910600 H -0.4806000 3.798600 2.264400 H -1.825500 2.989500 1.479800 H -1.248100 -2.017500 -0.4481000 H -3.164200 1.223300 1.670900 H 3.546100 -0.9568000 0.6266000 H 2.231200 -1.534000 1.668600 H -3.265200 -2.334500 -1.784400 H -5.183200 0.8998000 0.3292000 H 3.088800 -4.887800 1.269800 H 2.407600 -3.635700 2.242400 %chk=000053856-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000053856 0 1 Cl -6.206351 -0.358651 -2.091366 S 1.242901 -1.788165 0.428022 O 3.832998 -0.092450 -0.377261 O 3.574469 2.004929 -1.246214 O 3.644390 -4.372235 1.747531 N -0.098001 0.613380 1.011136 N 1.221298 2.303737 0.269631 N 3.153132 1.011652 -0.552037 N 4.309232 -2.950204 0.018984 C -1.270018 -0.079789 1.586327 C 1.073591 -0.000725 0.530141 C 0.034736 2.002902 0.833321 C -2.480650 -0.110820 0.658092 C 1.857577 1.084175 0.076535 C -1.005320 2.998066 1.236334 C -2.337491 -0.407596 -0.720433 C -3.776785 0.113008 1.181896 C 2.683623 -2.127959 1.665630 C -3.467054 -0.483748 -1.563479 C -4.918863 0.035559 0.353527 C -4.744218 -0.262178 -1.011284 C 3.583583 -3.258318 1.145312 H -1.530629 0.411289 2.540734 H -0.937834 -1.110381 1.814687 H -1.200951 2.976803 2.325000 H -0.641765 4.001864 0.970613 H -1.965205 2.819199 0.719145 H -1.343985 -0.580592 -1.149306 H -3.906847 0.348110 2.245230 H 3.237763 -1.180997 1.753533 H 2.234275 -2.435029 2.619190 H -3.356418 -0.712621 -2.627187 H -5.919333 0.207902 0.760109 H 4.935127 -3.657717 -0.364022 H 4.251324 -2.022999 -0.412171