%chk=000041394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041394

0 1
 S   0.2648000      -1.013000       1.841200    
 O   -5.008700       1.595200      -1.563500    
 N    1.050900       1.197500     -0.2706000    
 N    2.829700       3.454600      4.5000002E-02
 C   3.1999999E-03  0.4535000     -0.9670000    
 C    2.230200       1.364600      -1.128800    
 C   0.5530000       2.504100      0.1769000    
 C    3.328300       2.148200     -0.4018000    
 C    1.651700       3.286400      0.9046000    
 C   0.5185000     -0.8629000      -1.571400    
 C   -1.250100      0.2398000     -0.1435000    
 C   0.9485000      -2.053500     -0.7344000    
 C   -1.240200     -0.4342000       1.089000    
 C    3.877300       4.200000      0.7399000    
 C   -2.478800      0.7024000     -0.6494000    
 C   0.8616000      -2.213100      0.6607000    
 C    1.476100      -3.128400      -1.491300    
 C   -2.439400     -0.6185000       1.794400    
 C   -3.666800      0.5090000      5.5000000E-02
 C   -3.646800     -0.1518000       1.277300    
 C    1.315500      -3.415400       1.245800    
 C    1.913100      -4.311600     -0.8989000    
 C    1.833400      -4.454700      0.4754000    
 C   -4.925000       1.001700     -0.4845000    
 H  -0.2889000       1.061800      -1.837700    
 H    1.973400       1.869600      -2.069600    
 H    2.692800      0.4036000      -1.372200    
 H  -0.2769000       2.397800      0.8841000    
 H   0.1847000       3.096600     -0.6720000    
 H    3.700600       1.560300      0.4485000    
 H    4.168100       2.289400      -1.093300    
 H    1.250800       4.269800       1.179200    
 H    1.917200       2.769600       1.837100    
 H    1.289900     -0.6650000      -2.326100    
 H  -0.3219000      -1.251700      -2.171300    
 H    3.514100       5.191700       1.031900    
 H    4.736300       4.362000      7.9400003E-02
 H    4.227500       3.682400       1.640300    
 H   -2.497000       1.217700      -1.607900    
 H    1.547900      -3.042500      -2.574900    
 H   -2.447600      -1.126500       2.756500    
 H   -4.561300     -0.3094000       1.843200    
 H    1.269200      -3.560900       2.324500    
 H    2.312900      -5.113500      -1.511900    
 H    2.172300      -5.369700      0.9516000    
 H   -5.828900      0.8200000      0.1214000    


%chk=000041394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041394

0 1
S -0.411792 -1.539882 1.769005
O -5.103338 2.458190 -1.474921
N 0.824408 0.886327 -0.417356
N 2.846442 2.919511 0.093000
C -0.324497 0.240924 -1.116001
C 1.990429 1.071001 -1.323073
C 0.476902 2.188537 0.215354
C 3.193998 1.631496 -0.549596
C 1.681896 2.741513 0.991093
C 0.032849 -1.204666 -1.616144
C -1.584315 0.214535 -0.257408
C 1.014802 -1.989268 -0.762413
C -1.705264 -0.555494 0.937362
C 3.997810 3.534860 0.779528
C -2.708647 0.949812 -0.684051
C 0.908567 -2.155195 0.641218
C 2.115129 -2.616611 -1.408704
C -2.920295 -0.545273 1.678449
C -3.925723 0.967390 0.044564
C -4.018327 0.213180 1.243130
C 1.874527 -2.905187 1.361604
C 3.073644 -3.376112 -0.707733
C 2.953351 -3.516008 0.693192
C -5.084928 1.756810 -0.425297
H -0.592159 0.828931 -2.032798
H 1.737883 1.770197 -2.160487
H 2.275995 0.098121 -1.756244
H -0.361687 2.038176 0.915928
H 0.161444 2.941927 -0.549318
H 3.519732 0.869081 0.203867
H 4.032714 1.798427 -1.251719
H 1.414900 3.723338 1.425266
H 1.915399 2.040731 1.833725
H 0.447990 -1.136606 -2.637770
H -0.919388 -1.761590 -1.714316
H 3.704341 4.518002 1.189583
H 4.818632 3.696814 0.057747
H 4.395130 2.912786 1.621929
H -2.653113 1.544946 -1.603661
H 2.208947 -2.501185 -2.496004
H -2.996873 -1.149418 2.589029
H -4.951319 0.210910 1.820143
H 1.776685 -3.014210 2.448030
H 3.902861 -3.848242 -1.244793
H 3.687966 -4.094031 1.263734
H -5.988507 1.695507 0.234227


