%chk=000083902.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083902

0 1
 I   -5.504900      -1.498000       1.383300    
 S   -1.169700       4.362700     -0.3963000    
 O   -1.334100       1.633000       3.512800    
 O    3.562300     -0.8213000      -1.623700    
 O    2.180700      -3.631700      0.8322000    
 O   -5.327800     -0.8252000      -1.808400    
 N  -0.3453000       1.690000       1.389700    
 N   -2.579200       1.915700       1.548700    
 N    5.175200     -0.3745000     -1.7400000E-02
 N    2.766200      -1.429600       1.282500    
 C  -0.7900000       1.783600      1.2200000E-02
 C   -2.312800       2.018400      0.1273000    
 C  -0.1459000       2.919800     -0.7870000    
 C   -2.694900       3.393900     -0.4144000    
 C    1.326200       3.171000     -0.5058000    
 C   -1.410200       1.737200       2.296200    
 C    2.214500       2.148800      -1.215200    
 C    3.694800       2.390600     -0.9050000    
 C    4.605400       1.365500      -1.579000    
 C    4.376000     -6.0400002E-02  -1.106800    
 C    5.120300      -1.665000      0.6271000    
 C    4.099300      -1.696600       1.751900    
 C   0.5646000      -1.878900      0.4114000    
 C  -0.3917000      -2.972500     -6.0500000E-02
 C    1.905900      -2.434900      0.8556000    
 C   -1.710400      -2.401900     -0.5142000    
 C   -2.753800      -2.243800      0.3979000    
 C   -1.887400      -2.031700      -1.847300    
 C   -3.974200      -1.715500     -2.3100000E-02
 C   -3.107800      -1.503500      -2.268300    
 C   -4.151300      -1.345200      -1.356200    
 H  -0.5768000      0.8176000     -0.4553000    
 H   -2.892200       1.236000     -0.3698000    
 H  -0.2926000       2.733400      -1.858100    
 H   -3.482400       3.885500      0.1640000    
 H   -3.025900       3.312700      -1.454800    
 H    1.606700       4.162000     -0.8887000    
 H    1.546300       3.192500      0.5673000    
 H   0.6123000       1.501200       1.669300    
 H   -3.507400       1.955700       1.957700    
 H    1.926000       1.143700     -0.8901000    
 H    2.052800       2.199900      -2.298600    
 H    3.849100       2.355400      0.1804000    
 H    3.979900       3.394600      -1.240800    
 H    4.457000       1.383300      -2.665500    
 H    5.652800       1.641600      -1.407200    
 H    5.807000      0.3232000      0.3644000    
 H    4.891000      -2.430000     -0.1233000    
 H    6.119500      -1.869300       1.024900    
 H    4.332100     -0.9320000       2.501000    
 H    4.120300      -2.673700       2.246100    
 H    2.453200     -0.4633000       1.256900    
 H   0.1268000      -1.326500       1.251600    
 H   0.7500000      -1.164300     -0.3993000    
 H  -0.5622000      -3.700100      0.7437000    
 H   6.1500002E-02  -3.545300     -0.8801000    
 H   -2.603300      -2.533100       1.435600    
 H   -1.080800      -2.147400      -2.566500    
 H   -3.229400      -1.218800      -3.310100    
 H   -5.249700     -0.6312000      -2.758200    


%chk=000083902-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083902

0 1
I -4.808226 -0.701221 -1.968798
S -0.660083 3.817041 1.427844
O -0.388015 -0.310419 -0.960667
O 3.352454 1.425400 -1.442389
O 2.301460 -3.975754 1.029378
O -6.372826 -3.358083 -1.101640
N 0.639053 1.829607 -1.103734
N -1.593935 1.724978 -1.094936
N 4.774904 0.125667 -0.166365
N 1.629033 -1.886594 0.229529
C 0.246210 3.242558 -1.129890
C -1.344168 3.170407 -1.164764
C 0.712391 4.059589 0.124038
C -1.923826 3.955429 0.038860
C 2.082209 3.672817 0.711570
C -0.434227 0.964200 -1.045045
C 3.290520 4.188913 -0.114727
C 4.651240 3.633282 0.408907
C 5.311147 2.533515 -0.481920
C 4.412048 1.326186 -0.731641
C 3.933660 -1.076332 -0.336410
C 2.797511 -1.167027 0.730436
C 0.086329 -3.748129 -0.055501
C -1.010020 -3.548437 1.042901
C 1.446056 -3.240085 0.436870
C -2.425015 -3.550110 0.482127
C -2.856200 -2.447710 -0.307893
C -3.338799 -4.601657 0.726557
C -4.165954 -2.402023 -0.814406
C -4.650195 -4.561490 0.204371
C -5.079954 -3.455903 -0.569391
H 0.643030 3.734906 -2.038542
H -1.747023 3.592672 -2.106846
H 0.698504 5.136398 -0.138886
H -2.880222 3.534478 0.387251
H -2.061698 5.020225 -0.219935
H 2.159909 4.083704 1.737912
H 2.124040 2.572248 0.806272
H 1.613584 1.524083 -1.268984
H -2.516526 1.289799 -1.112371
H 3.166444 3.908330 -1.176240
H 3.301646 5.295832 -0.071018
H 4.516328 3.237367 1.435020
H 5.387600 4.455228 0.490612
H 5.541262 2.971477 -1.471012
H 6.270917 2.222871 -0.025596
H 5.619207 0.075198 0.405644
H 3.467772 -1.010054 -1.333945
H 4.568753 -1.977368 -0.302285
H 2.485409 -0.140234 0.997375
H 3.166442 -1.677369 1.637623
H 0.897068 -1.334420 -0.264699
H -0.211822 -3.192607 -0.963001
H 0.174491 -4.816406 -0.314350
H -0.825439 -2.575716 1.537446
H -0.896569 -4.330927 1.814668
H -2.150029 -1.634286 -0.519343
H -3.028187 -5.460532 1.332513
H -5.347628 -5.386319 0.402163
H -6.910442 -4.153892 -0.864017


