%chk=000113113.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113113 1 1 Cl -2.419400 3.993300 -5.4400001E-02 Cl -4.991100 2.277700 0.8479000 S 4.635500 0.2907000 0.8158000 O 6.025000 0.3612000 -3.3100002E-02 O 4.602900 -0.9476000 1.565400 O 4.401100 1.574700 1.442800 N -0.2446000 -0.6625000 -0.7973000 N -1.965000 -1.814000 -0.1952000 C 1.097600 -0.3338000 -1.268100 C 2.108000 -0.1944000 -0.1278000 C -0.7050000 -1.902000 -0.6337000 C 3.538200 0.1377000 -0.5730000 C -1.211300 0.2563000 -0.4632000 C -2.326900 -0.4881000 -7.2899997E-02 C -2.818200 -2.948800 0.1075000 C 4.4799998E-02 -3.160600 -0.8916000 C 3.560200 1.435800 -1.375300 C -1.205300 1.646200 -0.4691000 C -3.514500 0.1052000 0.3388000 C -2.396800 2.259500 -5.6000002E-02 C -2.691300 -3.393800 1.554200 C -3.523800 1.507400 0.3383000 H 1.424500 -1.102800 -1.976900 H 1.026600 0.5928000 -1.846900 H 2.116800 -1.125100 0.4528000 H 1.751600 0.5753000 0.5694000 H 3.922400 -0.6867000 -1.185100 H -3.859000 -2.685700 -0.1116000 H -2.570600 -3.775600 -0.5668000 H 1.105600 -2.986000 -0.7156000 H -0.3081000 -3.931500 -0.2075000 H -0.1442000 -3.435800 -1.930200 H 3.072900 2.254600 -0.8345000 H 4.582600 1.755600 -1.602400 H 3.053200 1.316900 -2.337800 H -0.3292000 2.206000 -0.7721000 H -4.367800 -0.4892000 0.6406000 H -1.660000 -3.670600 1.792900 H -3.334500 -4.257600 1.746700 H -2.983700 -2.588400 2.235300 H 6.312500 -0.4856000 -0.4486000 %chk=000113113-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000113113 1 1 Cl -3.179957 3.722665 -1.463101 Cl -5.560902 1.809100 -0.343542 S 4.361412 -0.817611 -0.331745 O 4.101057 -1.179892 -2.150422 O 3.454506 -1.882873 0.498066 O 5.932922 -0.687592 -0.005720 N -0.115854 -0.585484 -0.825475 N -1.751721 -1.901893 -0.069530 C 1.217512 -0.098672 -1.250381 C 1.944990 0.656606 -0.107634 C -0.413078 -1.852327 -0.374311 C 3.410842 0.964276 -0.419294 C -1.288778 0.203139 -0.794277 C -2.329394 -0.633632 -0.310260 C -2.494323 -3.075043 0.467841 C 0.552415 -2.981955 -0.263239 C 4.133200 1.884045 0.557571 C -1.526097 1.541418 -1.154811 C -3.646479 -0.163419 -0.162458 C -2.843583 2.017544 -1.010251 C -2.610667 -3.045420 2.003788 C -3.889801 1.176885 -0.519609 H 1.813491 -0.957635 -1.597617 H 1.070961 0.558420 -2.125876 H 1.888880 0.066707 0.826791 H 1.445486 1.624470 0.093720 H 3.608177 1.207282 -1.477261 H -3.490927 -3.069854 -0.006542 H -1.983828 -3.989140 0.124541 H 1.561458 -2.630006 0.023374 H 0.225452 -3.710651 0.494538 H 0.647042 -3.517709 -1.227563 H 3.937532 1.613028 1.609038 H 5.223613 1.880255 0.390979 H 3.776094 2.918616 0.395225 H -0.746121 2.203234 -1.538788 H -4.462785 -0.787112 0.209296 H -1.619532 -3.088606 2.487600 H -3.191380 -3.920644 2.341804 H -3.129344 -2.137825 2.356950 H 4.779207 -1.851993 -2.449716