%chk=000148610.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148610

0 1
 S   -6.073100     -0.4682000      0.3831000    
 O   -7.411000     -4.5400001E-02  0.7528000    
 O   -5.819400      -1.058100     -0.9163000    
 N   0.2615000      0.4429000      -1.302700    
 N    3.961500     -0.1285000      0.5814000    
 N   -4.986700      0.8321000      0.6916000    
 C    1.515500      0.2490000     -0.6628000    
 C    1.998600      -1.048100     -0.4626000    
 C    2.256800       1.357100     -0.2404000    
 C    3.243600      -1.192400      0.1726000    
 C    3.491700       1.118700      0.3861000    
 C    3.729800      -2.481400      0.3749000    
 C    1.274800      -2.179800     -0.8768000    
 C   -1.045500      0.5390000     -0.8068000    
 C    1.795600       2.671800     -0.4286000    
 C    3.013100      -3.608200     -3.5399999E-02
 C    4.234200       2.218000      0.8091000    
 C    1.783000      -3.457500     -0.6627000    
 C    5.051300      -2.694200       1.046100    
 C    2.557200       3.753500      3.4000000E-03
 C   -2.120300      0.7358000      -1.680800    
 C   -1.288200      0.4404000      0.5680000    
 C    3.779000       3.525600      0.6235000    
 C   -3.655600      0.7336000      0.1849000    
 C   -3.421100      0.8330000      -1.186700    
 C   -2.589100      0.5375000       1.062300    
 C   -5.537000      -1.626300       1.622500    
 H   0.3442000      0.5209000      -2.312000    
 H   0.3120000      -2.097800      -1.374400    
 H   0.8471000       2.885900     -0.9141000    
 H    3.403200      -4.609300      0.1278000    
 H    5.195000       2.065500       1.297700    
 H    1.222400      -4.329800     -0.9846000    
 H    5.300500      -3.757100       1.135900    
 H    5.852100      -2.218300      0.4701000    
 H    5.036500      -2.275600       2.058000    
 H   -1.953000      0.8180000      -2.752000    
 H  -0.4770000      0.2873000       1.274900    
 H    2.199500       4.767800     -0.1441000    
 H    4.381400       4.362700      0.9643000    
 H   -4.240100      0.9988000      -1.881800    
 H   -2.760100      0.4573000       2.132800    
 H   -5.044300       1.233800       1.637000    
 H   -5.606100      -1.154600       2.604400    
 H   -6.201900      -2.492100       1.582100    
 H   -4.514500      -1.939600       1.406400    


%chk=000148610-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148610

0 1
S -6.377869 0.214419 0.525422
O -7.646580 0.873228 1.302060
O -6.510375 -0.397969 -0.974656
N 0.151410 -0.184044 -1.261689
N 3.999513 -0.220586 0.660182
N -4.948682 1.666770 0.410508
C 1.402296 -0.172668 -0.589796
C 2.149496 -1.392821 -0.514414
C 1.966114 1.032350 -0.060630
C 3.472519 -1.354999 0.103364
C 3.269138 0.937068 0.591425
C 4.276575 -2.564725 0.158714
C 1.645038 -2.648468 -1.001313
C -1.093333 0.283568 -0.795953
C 1.353772 2.328309 -0.186304
C 3.748013 -3.746073 -0.364286
C 3.850469 2.123921 1.162358
C 2.431155 -3.794760 -0.930530
C 5.652680 -2.510181 0.781988
C 1.958198 3.457923 0.359082
C -2.188498 0.337347 -1.710779
C -1.308029 0.667517 0.560291
C 3.209724 3.354068 1.057597
C -3.668647 1.179579 0.057922
C -3.450450 0.782750 -1.296927
C -2.580997 1.084970 0.978654
C -5.690486 -1.220588 1.625643
H 0.117596 -0.734541 -2.122939
H 0.625667 -2.715465 -1.397125
H 0.407747 2.426852 -0.725344
H 4.346775 -4.663413 -0.327620
H 4.818179 2.011596 1.660653
H 2.040081 -4.750298 -1.296874
H 6.148622 -3.494762 0.736267
H 6.286356 -1.762839 0.272176
H 5.593652 -2.184904 1.836052
H -2.033141 0.048028 -2.757407
H -0.486827 0.614798 1.280292
H 1.481333 4.437782 0.248155
H 3.663977 4.252259 1.489820
H -4.284853 0.846470 -2.001162
H -2.737265 1.360132 2.029968
H -4.992136 2.071870 1.367483
H -5.633065 -0.831293 2.651268
H -6.426952 -2.029988 1.525657
H -4.710808 -1.494489 1.210846


