%chk=000150610.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150610

0 1
 S    1.787500      0.4253000       2.013600    
 O    6.516400       1.912100     -0.6682000    
 O    6.729100      -1.148600      -2.624100    
 O    3.442300       2.814600      -1.399000    
 O    2.803000       3.175500      0.7670000    
 O   -2.473200      0.9804000       1.114400    
 O   -9.623900      5.2000000E-03  -1.362800    
 O   -8.634600      -2.037100      -1.234100    
 N    4.622000      0.5074000     -0.6671000    
 N  -0.9975000      -1.451900     -0.1270000    
 N   -3.936200     -0.7403000      0.4542000    
 C    4.801300     -0.9219000     -0.3398000    
 C    6.331600     -0.6130000     -0.3201000    
 C    3.852700      -1.150800      0.8559000    
 C    5.937700      0.8505000     -0.6139000    
 C    3.098900      0.1655000      0.9345000    
 C    3.611000       1.051600      6.9499999E-02
 C    7.294300      -1.212200      -1.313900    
 C    4.554300      -1.548300       2.144100    
 C   0.6385000     -0.8487000       1.431000    
 C    7.603000      -2.667700     -0.9783000    
 C  -0.6856000     -0.8571000       2.188600    
 C   0.2205000     -0.6357000     -1.2200000E-02
 C    3.236700       2.450000     -0.1141000    
 C   -1.718800      -1.267900       1.140800    
 C   -2.739400     -0.1989000      0.9062000    
 C   -5.125500     -4.6999998E-02  0.1263000    
 C   -6.228900     -0.7616000     -0.3096000    
 C   -5.161000       1.332100      0.2493000    
 C   -7.401100     -7.7500001E-02 -0.6319000    
 C   -6.333000       2.016100     -7.3100001E-02
 C   -7.453200       1.311300     -0.5137000    
 C   -8.568900     -0.8115000      -1.092600    
 H    4.502000      -1.550100      -1.191200    
 H    6.762600     -0.6853000      0.6891000    
 H    3.158500      -1.954100      0.5803000    
 H    8.229000     -0.6400000      -1.325100    
 H    5.199700     -0.7455000       2.517300    
 H    5.182600      -2.430600       1.982100    
 H    3.832700      -1.790100       2.931400    
 H    1.103900      -1.835300       1.548800    
 H    6.693300      -3.277500      -1.012100    
 H    8.298800      -3.093000      -1.709100    
 H    8.041100      -2.760200      2.0400001E-02
 H  -0.6403000      -1.600900       2.993800    
 H  -0.9074000      0.1057000       2.661600    
 H   0.9736000     -0.9829000     -0.7260000    
 H  -1.4300000E-02  0.4129000     -0.2337000    
 H   -2.203100      -2.205000       1.436500    
 H   -1.553000      -1.181600     -0.9362000    
 H    7.377200      -1.528900      -3.241100    
 H    3.200600       3.751800      -1.558800    
 H   -3.981400      -1.749600      0.3313000    
 H   -6.178900      -1.844000     -0.3988000    
 H   -4.337600       1.946800      0.5819000    
 H   -6.374100       3.097800      1.8500000E-02
 H   -8.344700       1.883800     -0.7540000    
 H   -10.40620     -0.4995000      -1.672100    


%chk=000150610-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150610

0 1
S 1.822090 1.267043 1.295979
O 7.851604 0.888956 0.953194
O 7.257705 -1.069401 -2.245247
O 5.753222 3.573537 0.319383
O 3.669756 3.634053 1.371363
O -2.878746 1.357909 -0.151725
O -10.205122 -1.246631 0.004427
O -8.700727 -2.930157 0.544908
N 5.604062 0.785419 -0.028599
N -0.881023 -0.905079 -0.853089
N -4.138911 -0.590850 0.239428
C 5.122782 -0.589595 -0.415503
C 6.519868 -1.152563 0.039478
C 3.790248 -0.758998 0.386059
C 6.878391 0.325063 0.426167
C 3.418586 0.719486 0.666826
C 4.520740 1.547102 0.500846
C 7.395546 -1.856906 -1.002318
C 3.903850 -1.549361 1.716126
C 0.678574 -0.122366 0.684408
C 6.988049 -3.324467 -1.235285
C -0.699255 -0.003722 1.378992
C 0.306469 -0.015716 -0.807513
C 4.574489 2.982845 0.782473
C -1.679509 -0.725603 0.398889
C -2.947056 0.128416 0.151439
C -5.473323 -0.138028 0.032595
C -6.515531 -1.079349 0.208670
C -5.787329 1.199183 -0.339017
C -7.862915 -0.695872 0.016857
C -7.137707 1.566226 -0.526548
C -8.182569 0.635291 -0.353712
C -8.907797 -1.735206 0.218777
H 4.964928 -0.663553 -1.502987
H 6.466984 -1.771281 0.952927
H 3.037694 -1.248219 -0.257503
H 8.445573 -1.811428 -0.639566
H 4.665627 -1.103825 2.380322
H 4.178292 -2.601745 1.518048
H 2.945693 -1.541076 2.264744
H 1.145792 -1.095087 0.903646
H 5.943764 -3.383284 -1.591308
H 7.634561 -3.797410 -1.997647
H 7.078369 -3.914915 -0.304315
H -0.709567 -0.444176 2.388416
H -0.987045 1.061526 1.449227
H 1.099109 -0.387688 -1.480623
H 0.089517 1.044892 -1.060662
H -1.968441 -1.721271 0.796945
H -1.420814 -0.876947 -1.725769
H 7.982222 -1.312809 -2.873178
H 5.748037 4.537009 0.567783
H -4.045390 -1.576678 0.498978
H -6.307448 -2.117929 0.495299
H -4.978559 1.920280 -0.471356
H -7.370903 2.597429 -0.811717
H -9.228181 0.917698 -0.498468
H -10.853724 -1.985574 0.154736


