%chk=000096980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096980

0 1
 S    2.153400      -1.692000     -0.8202000    
 S   -4.435600       2.478800     -4.3200001E-02
 O   -3.218200      -2.456600      0.6830000    
 N  -0.4495000      -1.811700     -0.1422000    
 N   -1.964900       1.342400     -0.4184000    
 N   0.2140000      0.2284000     -0.7317000    
 N   -3.726500     -0.1779000      0.3362000    
 C    3.277000     -0.3004000     -0.4597000    
 C    3.052900      0.1992000      0.9706000    
 C    4.730800     -0.7278000     -0.6826000    
 C    4.023800       1.327300       1.318900    
 C    5.697700      0.4026000     -0.3304000    
 C    5.474500      0.9131000       1.090300    
 C   0.5868000      -1.022900     -0.5652000    
 C   -1.546500      -1.005300     -3.5500001E-02
 C   -1.116900      0.2386000     -0.4010000    
 C   -2.875600      -1.321900      0.3622000    
 C   -3.338500       1.174600     -4.2300001E-02
 C   -1.421400       2.645800     -0.8251000    
 C   -5.117400     -0.4343000      0.7364000    
 H    3.039500      0.5072000      -1.163500    
 H    3.195700     -0.6200000       1.688000    
 H    2.036500      0.5787000       1.116800    
 H    4.888900      -1.017500      -1.728800    
 H    4.972300      -1.602900     -6.4900003E-02
 H    3.886100       1.621800       2.365500    
 H    3.794300       2.207900      0.7062000    
 H    5.566400       1.228900      -1.040000    
 H    6.730000      5.0900001E-02 -0.4376000    
 H    6.136000       1.765000       1.284100    
 H    5.746300      0.1278000       1.806400    
 H  -0.4067000      -2.803200      5.2999999E-02
 H   -1.958700       2.997200      -1.711300    
 H  -0.3557000       2.587200      -1.062600    
 H   -1.557000       3.362500     -9.2000002E-03
 H   -5.783400     -0.1740000     -9.2200004E-02
 H   -5.360700      0.1834000       1.606500    
 H   -5.293200      -1.480100       1.000300    


%chk=000096980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096980

0 1
S 2.191116 -1.990727 -0.115177
S -4.323706 2.533869 -0.169406
O -3.644241 -2.531229 0.275382
N -0.591664 -2.026941 0.064334
N -1.917348 1.260271 -0.179802
N 0.266451 0.069666 -0.183495
N -3.845968 -0.161016 0.062523
C 3.260566 -0.382507 -0.119725
C 3.350779 0.220813 1.292829
C 4.641491 -0.748664 -0.694827
C 4.264748 1.474769 1.272323
C 5.553972 0.507160 -0.704547
C 5.664086 1.143177 0.701711
C 0.555695 -1.256816 -0.071657
C -1.683380 -1.147820 0.037195
C -1.121332 0.125407 -0.114324
C -3.089697 -1.398310 0.137479
C -3.317814 1.142327 -0.091306
C -1.291169 2.588503 -0.345753
C -5.318218 -0.297313 0.157592
H 2.713329 0.298681 -0.795054
H 3.770931 -0.533162 1.987389
H 2.341003 0.486537 1.652348
H 4.537962 -1.156235 -1.717500
H 5.111298 -1.534949 -0.069487
H 4.349852 1.882516 2.297451
H 3.791424 2.263385 0.652229
H 5.139343 1.253050 -1.413059
H 6.555246 0.227795 -1.083871
H 6.286424 2.057339 0.657490
H 6.179029 0.435724 1.384034
H -0.655943 -3.039181 0.171266
H -1.658638 3.063864 -1.270012
H -0.202413 2.436849 -0.390435
H -1.562038 3.240196 0.501118
H -5.792393 0.108379 -0.751038
H -5.693375 0.274279 1.022280
H -5.538908 -1.368884 0.270302


