%chk=000108493.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108493

0 1
 S   -1.276200       2.491500      0.9829000    
 O   -5.336300     -0.4636000      9.3000002E-02
 N    2.750200      -2.562500       1.016700    
 N   0.2572000      7.7999998E-03 -8.7099999E-02
 C    1.031500      -1.212300     -0.1694000    
 C    1.779600      -1.257700      -1.507100    
 C    2.003200      -1.295900       1.011500    
 C    3.131800      -1.961600      -1.390900    
 C    3.105000      -3.052200     -0.3226000    
 C   -1.154200     -0.1172000     -3.2699998E-02
 C   0.9656000       1.235200     -0.1341000    
 C    3.914800      -2.470600       1.893300    
 C   -1.961000      0.9487000      0.4122000    
 C   0.3687000       2.435200      0.3005000    
 C   -1.817600      -1.291300     -0.4517000    
 C    2.278400       1.321700     -0.6471000    
 C   -3.360800      0.8221000      0.4573000    
 C    1.073000       3.651100      0.2444000    
 C   -3.209500      -1.410200     -0.4096000    
 C    2.972200       2.533600     -0.7050000    
 C   -3.981700     -0.3535000      4.8500001E-02
 C    2.369900       3.698900     -0.2558000    
 C   -5.903600      -1.697200     -0.3473000    
 H   0.4346000      -2.123600     -7.4699998E-02
 H    1.775300     -0.3948000      -2.178900    
 H    1.164800      -1.941700      -2.118600    
 H    2.710100     -0.4622000       1.045100    
 H    1.432500      -1.235300       1.948100    
 H    3.388600      -2.407500      -2.359500    
 H    3.936600      -1.255500      -1.160200    
 H    2.356600      -3.802600     -0.6088000    
 H    4.063500      -3.586200     -0.3168000    
 H    4.391600      -3.450900       2.003800    
 H    3.618200      -2.153400       2.899500    
 H    4.661600      -1.764300       1.513200    
 H   -1.293800      -2.137800     -0.8850000    
 H    2.922200      0.5134000     -0.9267000    
 H   -3.978700       1.644900      0.8131000    
 H   0.6174000       4.576100      0.5922000    
 H   -3.620300      -2.350000     -0.7628000    
 H    3.992000       2.559900      -1.078500    
 H    2.907300       4.641600     -0.2912000    
 H   -5.699900      -1.876900      -1.408400    
 H   -6.989700      -1.610100     -0.2400000    
 H   -5.585400      -2.534000      0.2835000    


%chk=000108493-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108493

0 1
S -1.073233 2.227648 1.582714
O -5.339427 -0.309027 0.117120
N 2.973613 -2.553861 0.961133
N 0.345098 -0.001602 0.020925
C 1.128465 -1.271835 0.019571
C 1.574283 -1.827134 -1.386631
C 2.327722 -1.224765 1.003605
C 3.105606 -2.023248 -1.488377
C 3.670210 -2.860805 -0.315618
C -1.085077 -0.107084 0.014931
C 0.951052 1.280178 -0.142558
C 3.765627 -2.902677 2.148436
C -1.894127 0.875298 0.653953
C 0.373951 2.430360 0.470203
C -1.750352 -1.185067 -0.620998
C 2.120594 1.476411 -0.928111
C -3.294709 0.793727 0.650829
C 0.932546 3.713134 0.303415
C -3.158571 -1.308115 -0.597022
C 2.706636 2.752871 -1.061316
C -3.935509 -0.311147 0.037016
C 2.116642 3.881354 -0.450082
C -6.046681 -1.421427 -0.518098
H 0.445523 -2.017232 0.461885
H 1.221304 -1.152068 -2.187962
H 1.082210 -2.804073 -1.555229
H 3.021505 -0.381415 0.778020
H 1.935756 -1.054214 2.021980
H 3.363909 -2.514568 -2.444829
H 3.610926 -1.038926 -1.500354
H 3.554467 -3.944394 -0.524616
H 4.769057 -2.664481 -0.236268
H 4.067480 -3.965365 2.093685
H 3.157709 -2.770951 3.061192
H 4.697862 -2.292120 2.260126
H -1.166694 -1.942735 -1.151804
H 2.567652 0.628744 -1.449746
H -3.906502 1.562504 1.131347
H 0.448229 4.573820 0.777127
H -3.625266 -2.166686 -1.087959
H 3.616131 2.864470 -1.662145
H 2.560964 4.875667 -0.560707
H -5.850249 -1.455025 -1.607935
H -7.113955 -1.223356 -0.340484
H -5.767080 -2.391679 -0.062063


