%chk=000002301.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000002301 0 1 S 0.8312000 1.189900 -7.9999998E-04 O 1.018300 1.904600 -1.257800 O 0.9965000 1.910000 1.255900 N 4.870500 -1.936000 2.6000000E-03 C -0.7622000 0.4763000 -3.9999999E-04 C -3.308600 -0.6632000 -3.9999999E-04 C -1.399200 0.1923000 1.207500 C -1.398400 0.1906000 -1.208300 C -2.672400 -0.3776000 1.207600 C -2.671600 -0.3791000 -1.208400 C -4.670300 -1.271200 -6.9999998E-04 C 1.867900 -0.1987000 6.0000003E-04 C 3.186500 2.0000000E-02 6.0000003E-04 C 4.111800 -1.057900 1.9000000E-03 H -0.9204000 0.4003000 2.160300 H -0.9185000 0.3982000 -2.160600 H -3.158700 -0.5940000 2.155100 H -3.157300 -0.5965000 -2.156000 H 1.442500 -1.196500 1.4000000E-03 H -4.818600 -1.908000 -0.8795000 H -4.821400 -1.903000 0.8813000 H -5.432500 -0.4857000 -4.0000002E-03 H 3.592000 1.026800 9.9999997E-05 %chk=000002301-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000002301 0 1 S 0.873434 1.331626 0.372842 O 1.234833 2.067316 -1.048809 O 0.893745 2.098342 1.817703 N 4.932028 -2.021646 -0.510300 C -0.803773 0.483094 0.190519 C -3.321848 -0.707765 -0.065375 C -1.551247 0.258413 1.357154 C -1.258649 0.168364 -1.099454 C -2.818085 -0.349726 1.213949 C -2.528751 -0.437977 -1.213493 C -4.697885 -1.330752 -0.207567 C 2.122166 -0.091215 0.522201 C 3.018659 -0.219121 -0.483342 C 4.059036 -1.203602 -0.482850 H -1.165403 0.569818 2.333677 H -0.652460 0.406992 -1.979570 H -3.424266 -0.542485 2.106309 H -2.910708 -0.699001 -2.206935 H 2.053422 -0.652676 1.457772 H -4.756957 -1.988246 -1.091879 H -4.969698 -1.924681 0.681923 H -5.470657 -0.547175 -0.328273 H 2.950163 0.473702 -1.338201