%chk=000122245.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122245

0 1
 I   -5.975900       1.244800      0.7647000    
 S   -4.289300      -1.744700      8.1200004E-02
 O   0.7890000       1.616300      -1.179000    
 O   -1.047200       3.188000     -8.3200000E-02
 O   -3.353900      -2.838400     -0.1224000    
 O   -5.153200      -1.732500       1.250700    
 N    4.478300     -0.5939000      0.6126000    
 N   0.8202000     -0.5035000     -0.2399000    
 C    6.501000     -0.2927000     -0.7142000    
 C    6.584700      -1.167800      -1.930400    
 C    7.176900      0.2108000      -1.955600    
 C    5.179800      0.2822000     -0.3178000    
 C    3.045400     -0.2897000      0.7307000    
 C    5.005000     -0.4637000       1.973500    
 C    2.652000      -1.020700       2.016100    
 C    3.938200      -1.128200       2.827800    
 C    2.225800     -0.7640000     -0.4627000    
 C   0.2163000      0.6823000     -0.6238000    
 C   -1.228400      0.8061000     -0.3004000    
 C   -2.015400     -0.3445000     -0.2554000    
 C   -1.799900       2.052500     -4.3900002E-02
 C   -3.374000     -0.2489000      4.6000000E-02
 C   -3.158300       2.148100      0.2578000    
 C   -3.945400      0.9974000      0.3025000    
 C   -5.340400      -1.643500      -1.347400    
 C   -6.216200      -2.869300      -1.479600    
 C   -1.715100       4.417400      0.1922000    
 H    7.150700     -0.5098000      0.1249000    
 H    7.265800      -2.009400      -1.898100    
 H    5.688400      -1.341900      -2.512900    
 H    6.676700      0.9635000      -2.552400    
 H    8.256800      0.2950000      -1.943900    
 H    4.583800      0.4313000      -1.225500    
 H    5.326400       1.284500      0.1055000    
 H    2.897200      0.7891000      0.8852000    
 H    5.972000     -0.9601000       2.100800    
 H    5.110200      0.5867000       2.274600    
 H    1.883300     -0.4681000       2.567600    
 H    2.262700      -2.027400       1.821100    
 H    4.180100      -2.183700       2.999500    
 H    3.843900     -0.6424000       3.804200    
 H    2.528700     -0.2622000      -1.387000    
 H    2.333900      -1.843500     -0.6177000    
 H   0.3035000      -1.205800      0.2786000    
 H   -1.580100      -1.308600     -0.4965000    
 H   -3.647700       3.093700      0.4645000    
 H   -4.685000      -1.562600      -2.221100    
 H   -5.968200     -0.7578000      -1.311200    
 H   -6.834900      -2.800300      -2.379600    
 H   -6.881700      -2.974300     -0.6168000    
 H   -5.615000      -3.781300      -1.550700    
 H   -2.484100       4.637000     -0.5563000    
 H   -2.104100       4.446700       1.215800    
 H  -0.9661000       5.212900      0.1170000    


%chk=000122245-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122245

0 1
I -6.175074 1.555581 0.226125
S -4.601200 -1.809886 -0.204296
O 0.885089 1.032787 -1.263814
O -0.843110 2.980357 0.183090
O -3.483592 -3.007364 -0.319891
O -5.706992 -1.846192 0.994807
N 4.527257 -0.413446 0.701268
N 0.747045 -0.604352 0.389617
C 6.376284 0.015448 -0.935736
C 6.368802 -1.100469 -1.986100
C 6.696261 0.344362 -2.402516
C 5.064257 0.498169 -0.331419
C 3.119946 -0.133452 1.118754
C 5.367809 -0.602396 1.907640
C 3.076814 -0.450414 2.644479
C 4.388913 -1.235436 2.916355
C 2.159523 -1.004922 0.262643
C 0.210894 0.405277 -0.391384
C -1.266061 0.653846 -0.165447
C -2.178530 -0.415281 -0.245837
C -1.781234 1.969907 0.046832
C -3.565763 -0.192648 -0.138776
C -3.180718 2.186120 0.148739
C -4.078336 1.099113 0.056782
C -5.541976 -1.775127 -1.913003
C -6.401007 -3.032105 -1.998298
C -1.314412 4.362334 0.345300
H 7.230793 0.026033 -0.248113
H 7.180159 -1.834234 -1.977644
H 5.395062 -1.510350 -2.271142
H 5.943319 0.892696 -2.978365
H 7.728943 0.586841 -2.669984
H 4.306974 0.591319 -1.133416
H 5.216307 1.529360 0.084934
H 2.847340 0.930627 0.937076
H 6.233877 -1.251658 1.686555
H 5.761121 0.369629 2.304701
H 3.071997 0.488877 3.227119
H 2.173850 -1.019534 2.932669
H 4.258471 -2.308031 2.684445
H 4.734357 -1.145401 3.960521
H 2.442829 -0.902609 -0.798893
H 2.264160 -2.066543 0.548942
H 0.171247 -1.020716 1.123479
H -1.836178 -1.445860 -0.407159
H -3.574363 3.192024 0.309737
H -4.720515 -1.730741 -2.645539
H -6.117701 -0.836465 -1.887513
H -6.954857 -3.027246 -2.955330
H -7.134923 -3.066415 -1.174948
H -5.781325 -3.944039 -1.961303
H -1.928999 4.675680 -0.519441
H -1.888274 4.482099 1.284196
H -0.397358 4.965947 0.388200


