%chk=000067062.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000067062 0 1 S -5.131200 0.3212000 0.2159000 O -0.5893000 2.423900 -0.6833000 O -5.721800 4.3000001E-02 -1.282900 O -5.568500 -0.7838000 1.056500 O -5.442400 1.695700 0.5760000 N 2.837900 -1.353100 -0.3042000 C -0.6046000 5.3700000E-02 -0.2151000 C -1.355300 -1.105500 9.3999997E-02 C 1.435900 -1.270300 -0.1718000 C 0.7902000 -4.5600001E-02 -0.3448000 C -3.395700 0.2190000 5.0900001E-02 C -2.750200 -1.005900 0.2234000 C -1.270800 1.278300 -0.3859000 C -0.6889000 -2.329900 0.2643000 C -2.657500 1.358900 -0.2535000 C 0.6976000 -2.410300 0.1321000 C 3.874500 -0.4304000 -6.5099999E-02 C 5.051800 -0.4918000 -0.8125000 C 3.727000 0.5482000 0.9194000 C 6.078400 0.4225000 -0.5764000 C 4.753500 1.462600 1.155500 C 5.929300 1.399700 0.4076000 H 1.385100 0.8191000 -0.6245000 H -3.327500 -1.899200 0.4535000 H -1.245500 -3.234000 0.5026000 H -3.146200 2.318900 -0.3986000 H 1.189700 -3.369800 0.2703000 H 3.163200 -2.256000 -0.6385000 H 5.179900 -1.247900 -1.583000 H 2.831700 0.6077000 1.532400 H 0.3017000 2.391700 -0.3014000 H 6.993900 0.3735000 -1.158700 H 4.639800 2.220400 1.925100 H 6.729100 2.110800 0.5924000 H -5.513100 -0.8432000 -1.661700 %chk=000067062-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000067062 0 1 S -5.234253 0.160689 0.158975 O -0.645610 2.499188 -0.370758 O -5.550168 0.116403 -1.676514 O -5.800954 -1.206348 0.814360 O -5.732163 1.600074 0.708226 N 2.924054 -1.412961 -0.111486 C -0.572072 0.019342 -0.084250 C -1.340718 -1.195324 0.103021 C 1.528222 -1.279603 -0.030973 C 0.852085 -0.050263 -0.156980 C -3.376221 0.091904 0.050177 C -2.766467 -1.149920 0.168180 C -1.292303 1.270804 -0.195493 C -0.629786 -2.437317 0.208606 C -2.687023 1.313411 -0.133754 C 0.756215 -2.483567 0.150205 C 3.925956 -0.410207 -0.008445 C 5.148912 -0.601952 -0.708353 C 3.775984 0.736360 0.819678 C 6.194674 0.336361 -0.588469 C 4.823888 1.675884 0.919958 C 6.036933 1.487998 0.217389 H 1.449593 0.845687 -0.356892 H -3.356808 -2.059039 0.318348 H -1.203145 -3.360487 0.346857 H -3.215141 2.267611 -0.203531 H 1.279928 -3.442040 0.250451 H 3.265260 -2.354316 -0.314311 H 5.271338 -1.480539 -1.353842 H 2.869197 0.867007 1.417708 H 0.338386 2.406336 -0.373877 H 7.130139 0.172377 -1.134557 H 4.697037 2.550114 1.568308 H 6.846285 2.220140 0.302349 H -6.529550 0.278295 -1.810310