%chk=000036064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036064

0 1
 S  -0.5458000      0.4209000      -2.168700    
 O   0.4729000      -1.184900      0.2269000    
 N    4.164900      -1.394300      0.3154000    
 C  -0.5073000     -0.3778000      0.8651000    
 C  -0.1920000       1.080400      0.5164000    
 C   -1.910000     -0.7733000      0.3868000    
 C  -0.3641000     -0.7373000       2.357600    
 C    1.786300     -0.8425000      0.6497000    
 C  -0.1897000       1.505100     -0.7920000    
 C    2.791900      -1.731100     -5.9400000E-02
 C   8.3200000E-02   1.922500       1.571900    
 C   -2.880700      0.1977000      0.3297000    
 C   -2.137500      -2.082200      3.5599999E-02
 C   0.1031000       2.842000      -1.061700    
 C   0.3760000       3.259300       1.302100    
 C   -4.156500     -0.1620000     -0.1050000    
 C   -3.413200      -2.441900     -0.3992000    
 C   0.3859000       3.719100     -1.4600000E-02
 C   -4.422600      -1.481800     -0.4694000    
 C    4.450100      6.2000002E-03  5.7000001E-03
 C    5.112000      -2.272600     -0.3702000    
 C   0.9932000      0.5282000      -3.122900    
 H   0.5367000     -0.3816000       2.865000    
 H  -0.3828000      -1.826500       2.498800    
 H   -1.208900     -0.3364000       2.934300    
 H    1.998700      0.1972000      0.4063000    
 H    1.944800      -1.008200       1.717200    
 H    2.576300      -2.774700      0.2050000    
 H    2.642300      -1.661800      -1.145300    
 H   6.7199998E-02   1.636000       2.615300    
 H   -2.727500       1.225400      0.6400000    
 H   -1.368700      -2.845900      9.3599997E-02
 H   0.1087000       3.228300      -2.077900    
 H   0.5904000       3.944600       2.117100    
 H   -4.945100      0.5834000     -0.1515000    
 H   -3.621500      -3.470000     -0.6803000    
 H   0.6106000       4.760900     -0.2242000    
 H   -5.416500      -1.762400     -0.8054000    
 H    3.968200      0.6879000      0.7134000    
 H    4.166100      0.2788000      -1.017300    
 H    5.523000      0.2093000      0.1139000    
 H    6.137400      -2.062700     -4.5899998E-02
 H    5.065000      -2.162200      -1.459800    
 H    4.914800      -3.321200     -0.1209000    
 H    1.855500      0.3158000      -2.486200    
 H    1.105400       1.521400      -3.564900    
 H   0.9652000     -0.2083000      -3.930200    


%chk=000036064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036064

0 1
S -0.657157 0.777922 -2.214015
O 0.544918 -1.037961 0.256064
N 4.256108 -1.456677 0.145052
C -0.532401 -0.232794 0.908946
C -0.307865 1.271271 0.620280
C -1.860569 -0.752770 0.322104
C -0.553133 -0.579360 2.424284
C 1.925235 -0.696096 0.629204
C -0.298229 1.801556 -0.707176
C 2.817256 -1.723532 -0.086457
C -0.066805 2.179120 1.685958
C -3.035534 0.032996 0.421201
C -1.952283 -2.062773 -0.207116
C -0.054682 3.178293 -0.925980
C 0.186455 3.550290 1.465605
C -4.278591 -0.474420 -0.018608
C -3.194190 -2.569112 -0.647717
C 0.198568 4.057359 0.149275
C -4.363911 -1.778917 -0.555732
C 4.773828 -0.329968 -0.658201
C 5.090110 -2.665938 -0.011581
C 1.079954 0.710982 -2.955774
H 0.378824 -0.293760 2.943014
H -0.683711 -1.670004 2.520175
H -1.403378 -0.090359 2.930766
H 2.159719 0.341037 0.314016
H 2.090099 -0.772320 1.721900
H 2.575119 -2.724183 0.314771
H 2.554789 -1.740052 -1.174598
H -0.075063 1.811281 2.715675
H -2.979130 1.050576 0.826341
H -1.041085 -2.660175 -0.295073
H -0.088403 3.559924 -1.952485
H 0.367096 4.214867 2.317739
H -5.176838 0.149469 0.055166
H -3.249672 -3.580828 -1.066493
H 0.383419 5.120326 -0.040565
H -5.326940 -2.172777 -0.900258
H 4.197650 0.588364 -0.453473
H 4.732851 -0.525578 -1.761379
H 5.825922 -0.133838 -0.384722
H 6.135740 -2.431274 0.258314
H 5.089601 -3.077526 -1.053251
H 4.732051 -3.457791 0.669659
H 1.732107 0.095462 -2.318489
H 1.489484 1.726743 -3.071010
H 0.968069 0.239745 -3.945456


