%chk=000106423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106423

0 1
 S    2.791100      -4.068600     -0.1268000    
 O    3.128100      -4.657300       1.360700    
 O    1.992900      -5.075300     -0.8110000    
 O    4.030800      -3.581600     -0.7113000    
 O   -8.073600      0.3386000     -1.1300000E-02
 N   -2.055600      0.6056000      0.8873000    
 N    3.501800       1.195800      0.6647000    
 N   -2.544100      0.7616000     -0.2547000    
 N    3.854200       1.441000     -0.5112000    
 C    1.551500     -0.2834000      0.5420000    
 C   0.1453000     -0.4326000      0.5983000    
 C    2.353500      -1.414300      0.3175000    
 C    1.777400      -2.674200      0.1510000    
 C  -0.6569000      0.6981000      0.8225000    
 C    2.114100      0.9921000      0.7118000    
 C  -0.4176000      -1.708100      0.4281000    
 C   0.3944000      -2.820700      0.2060000    
 C  -8.0899999E-02   1.957800      0.9894000    
 C    1.302000       2.104500      0.9341000    
 C   -3.945000      0.6687000     -0.1894000    
 C   -4.720900       1.802800      3.3700000E-02
 C   -6.110100       1.691900      9.4599999E-02
 C   -6.718100      0.4471000     -6.7900002E-02
 C   -4.547900     -0.5758000     -0.3521000    
 C   -5.937000     -0.6867000     -0.2913000    
 C   -4.092500       3.146400      0.2104000    
 C   -8.675100     -0.6963000     -0.7878000    
 C    5.243900       1.645300     -0.5589000    
 C   -10.06700     -0.2621000      -1.194600    
 C    6.093800      0.5656000     -0.7783000    
 C    5.759900       2.926100     -0.3873000    
 C    7.472900      0.7686000     -0.8268000    
 C    7.139000       3.129200     -0.4358000    
 C    7.995500       2.050400     -0.6555000    
 H    3.436000      -1.320200      0.2864000    
 H   -1.492300      -1.866800      0.4713000    
 H  -7.5199999E-02  -3.793200      8.7399997E-02
 H  -0.7026000       2.832300       1.164400    
 H    1.738600       3.091200       1.066700    
 H   -6.728400       2.569200      0.2688000    
 H   -3.947700      -1.465700     -0.5227000    
 H   -6.368300      -1.677800     -0.3961000    
 H   -3.395900       3.359500     -0.6074000    
 H   -4.839700       3.947500      0.2103000    
 H   -3.555400       3.192600       1.163200    
 H    2.347800      -4.959100       1.882700    
 H   -8.111500     -0.8967000      -1.707700    
 H   -8.733000      -1.610200     -0.1864000    
 H   -10.56290      -1.038400      -1.784100    
 H   -10.67710     -4.6300001E-02 -0.3113000    
 H   -10.02660      0.6588000      -1.785700    
 H    5.695500     -0.4364000     -0.9144000    
 H    5.099700       3.772300     -0.2166000    
 H    8.139700     -7.1300000E-02 -0.9982000    
 H    7.546000       4.127300     -0.3027000    
 H    9.069400       2.208500     -0.6934000    


%chk=000106423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106423

0 1
S 2.982455 -4.586994 -0.084447
O 3.005429 -4.827688 1.761514
O 2.207921 -5.847302 -0.742847
O 4.475521 -4.200327 -0.572775
O -8.380017 0.723126 -0.280922
N -2.036866 0.097904 -0.114335
N 3.633873 0.725742 -0.030652
N -2.775545 1.189943 -0.083202
N 4.124764 1.943792 -0.003722
C 1.645435 -0.673026 -0.058510
C 0.208279 -0.840713 -0.078321
C 2.484336 -1.833275 -0.049411
C 1.875935 -3.077123 -0.068246
C -0.636295 0.336456 -0.082124
C 2.213767 0.657974 -0.041958
C -0.347691 -2.162620 -0.100446
C 0.473193 -3.290372 -0.093018
C -0.043064 1.622622 -0.063041
C 1.354218 1.781596 -0.043109
C -4.172980 0.979419 -0.134380
C -4.993225 2.162205 -0.078155
C -6.389270 2.010493 -0.130704
C -6.988702 0.727740 -0.237282
C -4.786091 -0.304275 -0.241166
C -6.178219 -0.442579 -0.293456
C -4.372066 3.539719 0.035910
C -9.081158 -0.579274 -0.394472
C 5.550597 2.012533 -0.002429
C -10.574939 -0.272790 -0.420284
C 6.426266 0.887828 -0.056130
C 6.087197 3.328338 0.053570
C 7.817227 1.092856 -0.051297
C 7.483217 3.523615 0.059293
C 8.351349 2.407054 0.006973
H 3.570226 -1.710221 -0.040497
H -1.435350 -2.258906 -0.120526
H 0.067269 -4.305508 -0.122221
H -0.708412 2.490957 -0.066650
H 1.810652 2.775800 -0.030413
H -7.047421 2.883867 -0.090739
H -4.134799 -1.182321 -0.283873
H -6.624298 -1.437366 -0.377513
H -3.693988 3.740225 -0.812179
H -5.149841 4.321466 0.059064
H -3.759285 3.624064 0.950665
H 3.531600 -5.659723 1.946028
H -8.754212 -1.086274 -1.324316
H -8.811369 -1.212726 0.474198
H -11.150669 -1.211986 -0.506851
H -10.884296 0.242749 0.504522
H -10.826775 0.371832 -1.279238
H 5.998213 -0.117733 -0.102708
H 5.388675 4.170734 0.092168
H 8.493978 0.232373 -0.094041
H 7.894243 4.537728 0.103362
H 9.436907 2.555674 0.009937


