%chk=000043579.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000043579 0 1 S -1.538900 1.501700 -0.4313000 S 6.5200001E-02 0.9391000 -1.587500 O 2.730500 -0.7500000 0.7712000 C -3.698800 0.1226000 0.5647000 C -2.440800 -6.6000000E-02 -0.2757000 C 1.275000 0.4552000 -0.3897000 C -4.467800 -1.183500 0.7006000 C 1.851500 -0.7665000 -0.2647000 C 1.800700 1.289100 0.6007000 C 1.729500 -2.046200 -0.9808000 C 2.693800 0.5044000 1.292500 H -3.437900 0.4834000 1.567100 H -4.356000 0.8715000 0.1064000 H -1.788800 -0.8094000 0.1955000 H -2.712000 -0.4227000 -1.275200 H -3.856000 -1.950300 1.186400 H -5.366900 -1.032400 1.306100 H -4.777500 -1.560300 -0.2795000 H 1.579600 2.327200 0.8052000 H 0.6970000 -2.407800 -0.9484000 H 2.020300 -1.928800 -2.029300 H 2.368900 -2.816900 -0.5388000 H 3.347200 0.6799000 2.134600 %chk=000043579-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000043579 0 1 S -1.683956 1.663067 -0.364506 S 0.206798 1.222543 -1.616537 O 2.745169 -0.777512 0.782556 C -3.741204 -0.001451 0.561827 C -2.455628 -0.071387 -0.286869 C 1.374399 0.621956 -0.381610 C -4.420967 -1.387495 0.662962 C 1.762879 -0.709954 -0.224273 C 2.134383 1.417257 0.569362 C 1.381028 -1.988581 -0.890149 C 2.947497 0.543723 1.257026 H -3.495982 0.369539 1.575503 H -4.444011 0.726021 0.111901 H -1.716124 -0.751303 0.170168 H -2.671173 -0.396204 -1.318275 H -3.748203 -2.128266 1.133708 H -5.340093 -1.328016 1.273383 H -4.701141 -1.768503 -0.336576 H 2.061379 2.493980 0.702451 H 0.558271 -1.797714 -1.598257 H 2.229139 -2.421603 -1.452213 H 1.052657 -2.742133 -0.151401 H 3.682685 0.645336 2.049919