%chk=000148885.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148885

0 1
 S    8.378500      0.1314000      3.9200000E-02
 S   -8.360200     -0.1074000      4.8099998E-02
 O    6.880600     -0.5255000      4.6799999E-02
 O   -6.852300      0.5260000      2.5699999E-02
 O    8.588200      0.7893000      -1.237500    
 O    8.527800      0.8792000       1.274400    
 O   -8.588700     -0.8014000      -1.206000    
 O   -8.512400     -0.8138000       1.307100    
 N    9.428300      -1.221900      0.1210000    
 N   -9.388500       1.264000      9.4200000E-02
 C   0.6107000      0.4190000     -9.4400004E-02
 C  -0.6632000     -0.4289000     -7.9999998E-02
 C    1.861700     -0.4617000     -0.1089000    
 C   -1.915800      0.4490000     -9.8099999E-02
 C    3.168100      0.3345000     -3.4100000E-02
 C   -3.189500     -0.3973000     -5.0299998E-02
 C    4.453300     -0.5004000      6.8999999E-03
 C   -4.441500      0.4845000     -2.8200001E-02
 C    5.739700      0.3183000     -1.1900000E-02
 C   -5.725000     -0.3369000     -1.3900000E-02
 H   0.6142000       1.072000     -0.9753000    
 H   0.6283000       1.067700      0.7898000    
 H  -0.6715000      -1.096500     -0.9501000    
 H  -0.6709000      -1.063300      0.8147000    
 H    1.825200      -1.156000      0.7398000    
 H    1.866200      -1.074500      -1.018600    
 H   -1.897000       1.130900      0.7607000    
 H   -1.918800       1.068600      -1.003100    
 H    3.142700      0.9759000      0.8559000    
 H    3.214500       1.007900     -0.8993000    
 H   -3.177100      -1.034900      0.8420000    
 H   -3.222300      -1.060900     -0.9228000    
 H    4.447300      -1.137100      0.9005000    
 H    4.465900      -1.193400     -0.8439000    
 H   -4.423800       1.142600      0.8495000    
 H   -4.450900       1.150000     -0.9005000    
 H    5.756900       1.000600      0.8453000    
 H    5.785700      0.9169000     -0.9285000    
 H   -5.782900     -0.9613000     -0.9123000    
 H   -5.743900     -0.9904000      0.8653000    
 H    9.425000      -1.754600       1.000300    
 H    9.458900      -1.831400     -0.7064000    
 H   -9.370900       1.823700      0.9563000    
 H   -9.415400       1.847700     -0.7517000    


%chk=000148885-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148885

0 1
S 8.585819 0.150861 -0.025329
S -8.591123 -0.159056 -0.021037
O 6.896502 -0.648361 0.000066
O -6.902102 0.641056 -0.017172
O 8.803080 0.860170 -1.454620
O 8.813248 0.931459 1.364788
O -8.806238 -0.910515 -1.429010
O -8.820235 -0.898128 1.391247
N 9.557815 -1.310525 0.008237
N -9.563560 1.302430 -0.031613
C 0.649597 0.411697 -0.012032
C -0.654515 -0.417509 -0.010035
C 1.924189 -0.462047 -0.006294
C -1.929233 0.456074 -0.011457
C 3.226715 0.369946 -0.014518
C -3.231781 -0.375889 -0.011316
C 4.494705 -0.519250 -0.007037
C -4.500094 0.512735 -0.014792
C 5.773509 0.329797 -0.016245
C -5.778773 -0.336630 -0.012757
H 0.662014 1.073418 -0.903213
H 0.659520 1.081437 0.873184
H -0.665893 -1.084962 -0.896939
H -0.665376 -1.081560 0.879458
H 1.914442 -1.119724 0.887595
H 1.912498 -1.134406 -0.889160
H -1.918922 1.121956 0.876339
H -1.918032 1.120407 -0.900403
H 3.238043 1.041584 0.868495
H 3.237024 1.025517 -0.909521
H -3.243536 -1.037773 0.879064
H -3.241427 -1.041496 -0.898921
H 4.496001 -1.166403 0.890511
H 4.494806 -1.183873 -0.891656
H -4.501508 1.171600 0.874181
H -4.500604 1.165874 -0.907973
H 5.831176 0.975425 0.881338
H 5.834595 0.949867 -0.931538
H -5.837140 -0.972883 -0.917043
H -5.838589 -0.966397 0.895946
H 9.545563 -1.807357 0.903552
H 9.536008 -1.854373 -0.859128
H -9.552491 1.825160 0.848856
H -9.540498 1.820846 -0.914398


