%chk=000112690.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112690

1 1
 S  -0.8396000       1.334700     -0.3910000    
 N    3.021500      7.9800002E-02 -0.6295000    
 N   -1.596900      -1.226100     -0.1931000    
 C    5.312400      0.2027000       1.101700    
 C    4.734800       1.461100      0.4518000    
 C    4.231400     -0.8642000       1.283200    
 C    4.036400       1.149500     -0.8665000    
 C    3.528900      -1.190300     -2.9500000E-02
 C    1.780600      0.2433000     -0.9251000    
 C   0.7753000     -0.7968000     -0.6981000    
 C  -0.4859000     -0.4171000     -0.4388000    
 C   -2.757900     -0.4643000      4.1000001E-02
 C   -2.546400      0.9314000     -2.4800001E-02
 C   -1.659000      -2.674500     -0.1570000    
 C   -4.036600     -0.9384000      0.3185000    
 C   -3.573200       1.843300      0.1779000    
 C   -5.078000     -2.7000001E-02  0.5246000    
 C   -4.847900       1.352800      0.4546000    
 H    6.121500     -0.1957000      0.4774000    
 H    5.749900      0.4555000       2.073900    
 H    4.024900       1.929900       1.145800    
 H    5.537700       2.186600      0.2792000    
 H    4.683000      -1.774500       1.693900    
 H    3.497600     -0.5114000       2.019600    
 H    3.543400       2.041300      -1.267200    
 H    4.739100      0.7678000      -1.614900    
 H    4.226700      -1.625900     -0.7533000    
 H    2.746600      -1.920400      0.1702000    
 H    1.502400       1.194100      -1.400400    
 H    1.031500      -1.844500     -0.7655000    
 H   -1.989300      -3.023900      0.8277000    
 H  -0.6883000      -3.139900     -0.3512000    
 H   -2.352400      -3.051600     -0.9169000    
 H   -4.248000      -2.001500      0.3794000    
 H   -3.399400       2.913000      0.1249000    
 H   -6.077800     -0.3938000      0.7416000    
 H   -5.669900       2.044400      0.6176000    


%chk=000112690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112690

1 1
S -1.205621 1.557736 -0.316653
N 3.071702 0.136894 -0.375574
N -1.738287 -1.003833 0.059022
C 5.788306 -0.026902 0.719568
C 5.090622 1.334090 0.497710
C 4.743758 -1.136149 0.977010
C 4.048263 1.236741 -0.638157
C 3.701014 -1.196243 -0.165906
C 1.743570 0.377907 -0.341138
C 0.703191 -0.545685 -0.130521
C -0.656948 -0.164298 -0.111623
C -3.015882 -0.375552 0.036519
C -2.938990 1.025703 -0.160323
C -1.651052 -2.466837 0.250691
C -4.269879 -1.006828 0.184268
C -4.085956 1.832118 -0.215380
C -5.428561 -0.202953 0.129908
C -5.341969 1.198132 -0.066989
H 6.394644 -0.285008 -0.172026
H 6.488256 0.038549 1.570879
H 4.591126 1.660859 1.429827
H 5.827779 2.112599 0.230090
H 5.232824 -2.124214 1.053930
H 4.223555 -0.950727 1.936218
H 3.493900 2.183046 -0.757898
H 4.559676 1.014769 -1.596217
H 4.197323 -1.485936 -1.113708
H 2.926190 -1.946944 0.050629
H 1.481804 1.431491 -0.506555
H 0.939830 -1.600889 0.018428
H -2.100256 -2.742653 1.219838
H -0.606991 -2.801579 0.242849
H -2.189248 -2.981885 -0.563160
H -4.353828 -2.086286 0.336436
H -4.019821 2.913067 -0.367180
H -6.410261 -0.672722 0.242133
H -6.254685 1.799822 -0.105245


