%chk=000125043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125043

0 1
 I   0.5630000      -2.569500       2.932300    
 S    2.233900       2.740300       1.555000    
 O    5.054900       1.929000      -2.205700    
 O   -4.323800       2.080500       1.708500    
 O   8.9900002E-02  -5.323200      0.6976000    
 N    2.956000       1.324900      -1.358300    
 N    4.766200       1.071500     -4.4799998E-02
 N   -4.339600       1.414900     -0.5137000    
 N   0.7201000      -3.482700     -0.5741000    
 C    2.430900      0.7306000     -0.1436000    
 C    3.661700      0.6319000      0.7851000    
 C    1.328100       1.546400      0.5367000    
 C    3.493300       1.527400       2.010400    
 C   0.3399000       2.225600     -0.3968000    
 C  -0.9732000       2.548900      0.3163000    
 C    4.343800       1.496600      -1.308900    
 C   -1.974500       3.207600     -0.6372000    
 C   -3.307800       3.516700      4.1999999E-02
 C   -4.046900       2.281700      0.5290000    
 C   -4.050700     -0.9904000     -2.9600000E-02
 C   -5.017300      0.1586000     -0.2992000    
 C   -3.060300      -1.206300      -1.179100    
 C   -2.115200      -2.373000     -0.8815000    
 C   -1.104600      -2.640300      -2.002900    
 C  -0.1074000      -3.759000      -1.715700    
 C   0.7514000      -4.296600      0.5519000    
 C    1.688100      -3.792100       1.626200    
 H    2.058700     -0.2625000     -0.4197000    
 H    3.871600     -0.4003000       1.084900    
 H   0.7957000      0.8809000       1.227300    
 H    4.420300       2.017700       2.321400    
 H    3.106500      0.9464000       2.853800    
 H   0.1052000       1.540500      -1.222500    
 H   0.7631000       3.129600     -0.8523000    
 H    2.400200       1.515500      -2.186300    
 H    5.737700       1.063000      0.2497000    
 H  -0.7902000       3.218600       1.164600    
 H   -1.399500       1.623300      0.7212000    
 H   -1.549200       4.147500      -1.010300    
 H   -2.124600       2.565300      -1.512200    
 H   -3.963300       4.047200     -0.6589000    
 H   -3.149600       4.181100      0.8995000    
 H   -4.627800      -1.907900      0.1363000    
 H   -3.493000     -0.7890000      0.8936000    
 H   -5.608800     -4.6200000E-02  -1.198000    
 H   -5.711600      0.2620000      0.5418000    
 H   -2.465200     -0.3003000      -1.342900    
 H   -3.610100      -1.406500      -2.106400    
 H   -4.102300       1.669000      -1.467700    
 H   -2.701100      -3.283600     -0.7062000    
 H   -1.578500      -2.157400      4.9400002E-02
 H   -1.649200      -2.883800      -2.923300    
 H  -0.5494000      -1.714300      -2.201700    
 H   0.5652000      -3.874900      -2.572300    
 H  -0.6375000      -4.707700      -1.581500    
 H    1.324900      -2.667700     -0.6142000    
 H    2.520200      -3.239200       1.177800    
 H    2.114500      -4.655600       2.147300    


%chk=000125043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125043

0 1
I 2.789798 -2.440952 -0.297844
S 2.479666 4.005423 1.233744
O 5.316056 1.470299 -1.663221
O -3.593835 2.024350 1.553744
O -0.192083 -5.656897 0.198860
N 3.355366 1.066762 -0.368507
N 5.150758 1.885956 0.676864
N -4.507578 1.259743 -0.441731
N 0.133564 -4.142327 -1.551095
C 2.867156 1.273837 1.001364
C 4.146330 1.851568 1.744692
C 1.680728 2.273849 1.131801
C 3.807185 3.246733 2.336638
C 0.637918 2.190005 0.005206
C -0.681745 2.927797 0.324224
C 4.680444 1.484307 -0.576117
C -1.645860 2.929425 -0.885256
C -3.112935 3.291901 -0.507142
C -3.762960 2.164672 0.300959
C -4.116099 -1.140531 0.246515
C -5.100215 0.051755 0.163635
C -3.608525 -1.636469 -1.125336
C -2.631977 -2.828726 -1.009422
C -2.092561 -3.300942 -2.377187
C -1.101458 -4.484835 -2.280080
C 0.488312 -4.744846 -0.371580
C 1.811164 -4.361304 0.296346
H 2.552835 0.308260 1.444881
H 4.465031 1.177199 2.563731
H 1.191658 2.099625 2.110610
H 4.681018 3.917493 2.346232
H 3.406527 3.148906 3.361079
H 0.401571 1.118479 -0.175675
H 1.080496 2.587868 -0.930043
H 2.744080 0.896143 -1.163191
H 6.109608 2.199978 0.799450
H -0.463753 3.972195 0.623208
H -1.176381 2.449445 1.190649
H -1.283467 3.650002 -1.644633
H -1.635621 1.930687 -1.370542
H -3.694391 3.503446 -1.425537
H -3.118700 4.204787 0.114371
H -4.627446 -1.970698 0.775008
H -3.259924 -0.841474 0.881187
H -5.994465 -0.226426 -0.426079
H -5.426364 0.324061 1.183075
H -3.099872 -0.801668 -1.652239
H -4.473632 -1.929957 -1.758093
H -4.607201 1.409878 -1.446220
H -3.138116 -3.675606 -0.503158
H -1.781891 -2.543394 -0.357098
H -2.936103 -3.621739 -3.021833
H -1.607206 -2.450903 -2.902008
H -0.833915 -4.837641 -3.295212
H -1.559594 -5.329883 -1.736442
H 0.740165 -3.406974 -1.925681
H 2.570866 -5.132694 0.092011
H 1.650375 -4.279251 1.380221


