%chk=000148442.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148442

0 1
 S   -2.489100      -1.339500     -0.6589000    
 O   -2.005400       2.318800     -0.7544000    
 O    4.731700      -1.246200      0.4639000    
 O    3.124800     -0.9771000      -1.168800    
 N   -4.542400      -2.980900     -0.8342000    
 N   -4.451800      -1.652600       1.116600    
 C  -0.7886000      0.5794000      0.3594000    
 C    1.617500      0.7358000      0.5141000    
 C   0.4316000      5.2099999E-02  0.7825000    
 C  -0.8227000       1.790400     -0.3321000    
 C    2.922500      0.1730000      0.9656000    
 C    1.583300       1.946700     -0.1774000    
 C   -2.048400     -0.1644000      0.6567000    
 C   0.3633000       2.474000     -0.6004000    
 C    3.573600     -0.7394000     -5.5599999E-02
 C   -2.681500       3.195200      0.1450000    
 C   -3.976900      -2.035800     -2.5300000E-02
 C    5.458500      -2.129400     -0.3965000    
 H   0.4608000     -0.8934000       1.319100    
 H    3.621000      0.9881000       1.191200    
 H    2.778100     -0.3958000       1.892400    
 H    2.500300       2.488000     -0.3948000    
 H   -1.928200     -0.7190000       1.595600    
 H   -2.884500      0.5214000      0.8210000    
 H   0.3444000       3.417100      -1.139900    
 H   -2.210500       4.182800      0.1183000    
 H   -2.674600       2.813100       1.170800    
 H   -3.718800       3.293200     -0.1863000    
 H    4.850700      -3.006100     -0.6399000    
 H    6.354800      -2.460300      0.1349000    
 H    5.763600      -1.604900      -1.307000    
 H   -5.401300      -3.453600     -0.5750000    
 H   -4.118600      -3.237800      -1.719100    
 H   -5.315300      -2.172700       1.307000    


%chk=000148442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148442

0 1
S -3.343872 -0.754598 -0.508467
O -2.256823 2.689288 -0.327260
O 3.308604 -1.908162 0.094736
O 4.115469 0.262801 -0.141165
N -3.127554 -3.388816 -0.962233
N -2.354877 -2.656178 1.226056
C -1.288533 0.787510 0.755200
C 1.159663 0.565342 1.021185
C -0.154117 0.071498 1.203057
C -1.086418 2.036203 0.097980
C 2.362055 -0.228252 1.539326
C 1.333325 1.809179 0.368244
C -2.674537 0.249154 0.978570
C 0.220476 2.544588 -0.093540
C 3.353125 -0.551864 0.429334
C -2.107721 3.971356 -1.017706
C -2.858012 -2.457756 0.037476
C 4.205200 -2.322148 -1.013032
H -0.325611 -0.897390 1.687007
H 2.909520 0.365894 2.295470
H 2.026247 -1.165732 2.008781
H 2.344999 2.198559 0.207481
H -2.702319 -0.477198 1.807370
H -3.421276 1.045584 1.107712
H 0.383841 3.502891 -0.595358
H -1.522354 3.859096 -1.950805
H -1.626057 4.726742 -0.366498
H -3.132951 4.288610 -1.258980
H 3.927118 -1.796924 -1.942200
H 4.051328 -3.406051 -1.108240
H 5.254032 -2.087056 -0.765413
H -2.961383 -4.379908 -0.799918
H -3.473018 -3.095785 -1.874612
H -2.115667 -3.640276 1.448944


