%chk=000113974.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113974

0 1
 S   -2.071500      0.4446000      -1.188500    
 N  -0.1709000       1.683100      0.3790000    
 N   -2.501600       2.260800      0.6080000    
 N   -4.638500      -2.536600     -0.1311000    
 C   0.8021000      0.8839000     -0.2700000    
 C    1.182800     -0.3687000      0.2384000    
 C    2.160200      -1.126600     -0.4497000    
 C   0.3479000       2.494800       1.489100    
 C    1.376900       1.382400      -1.439500    
 C   0.6151000     -0.8859000       1.414100    
 C    2.727900     -0.6096000      -1.625700    
 C   -1.536300       1.577000      7.2200000E-02
 C    2.337700      0.6369000      -2.116200    
 C    2.540900      -2.379300      5.8300000E-02
 C   0.8236000       3.839900      0.9747000    
 C    1.005400      -2.132300       1.904600    
 C    1.966600      -2.877600       1.228100    
 C   -3.184100     -0.5632000     -0.1809000    
 C   -3.784300      -1.723400     -0.9650000    
 H  -0.4389000       2.651700       2.236300    
 H    1.168300       1.989400       2.013400    
 H    1.081300       2.350200      -1.836900    
 H  -0.1418000     -0.3428000       1.974400    
 H    3.480500      -1.175100      -2.171200    
 H    2.783800       1.024800      -3.027300    
 H    3.290100      -2.979200     -0.4543000    
 H    1.681800       3.735200      0.3039000    
 H   2.9600000E-02   4.359000      0.4278000    
 H    1.131700       4.475800       1.810800    
 H   0.5578000      -2.521700       2.814400    
 H    2.269700      -3.848100       1.610200    
 H   -3.997800      5.5700000E-02  0.2110000    
 H   -2.620000     -0.9480000      0.6765000    
 H   -2.986700      -2.357000      -1.369600    
 H   -4.366900      -1.345700      -1.813400    
 H   -3.389400       2.015600      0.1613000    
 H   -5.065600      -3.273100     -0.6911000    
 H   -5.405800      -1.974800      0.2353000    


%chk=000113974-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113974

0 1
S -1.969141 -0.412447 -0.592164
N -0.140428 1.196001 0.674547
N -2.345293 1.817656 1.189005
N -5.952020 -1.353712 -1.189468
C 0.823742 0.496858 -0.141725
C 1.667344 -0.507570 0.462154
C 2.687187 -1.139833 -0.350895
C 0.363983 2.270725 1.578531
C 0.977685 0.829032 -1.493009
C 1.523858 -0.909227 1.830806
C 2.812958 -0.775378 -1.732273
C -1.518905 1.038559 0.543422
C 1.967155 0.182384 -2.294672
C 3.539096 -2.128184 0.245916
C 0.399867 3.654070 0.899195
C 2.365772 -1.877978 2.381536
C 3.387671 -2.488289 1.586269
C -3.853412 -0.336238 -0.409803
C -4.485335 -1.425871 -1.299946
H -0.306614 2.303566 2.454555
H 1.375125 1.972061 1.909026
H 0.325329 1.591710 -1.929854
H 0.726477 -0.457328 2.429643
H 3.583602 -1.262776 -2.341351
H 2.064408 0.454860 -3.351017
H 4.311507 -2.601165 -0.372429
H 1.043757 3.641474 0.001056
H -0.620304 3.956680 0.609891
H 0.802356 4.409864 1.599294
H 2.241697 -2.181798 3.426798
H 4.042546 -3.244760 2.032490
H -4.192702 0.665992 -0.729793
H -4.132472 -0.508811 0.642531
H -4.157313 -2.418582 -0.941966
H -4.104278 -1.315348 -2.340952
H -3.347396 1.593130 1.103226
H -6.449360 -2.242009 -1.266149
H -6.396548 -0.595216 -1.711025


