%chk=000120887.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120887

0 1
 S    1.541800       3.123800     -6.5200001E-02
 N   -1.447800      0.3636000      0.2882000    
 C   -1.847700      0.2808000      -1.123600    
 C   -2.620500      0.3561000       1.174000    
 C   -2.654100     -0.9902000      -1.395200    
 C   -3.452200     -0.9122000      0.9774000    
 C   -3.869100      -1.082200     -0.4791000    
 C  -0.6382000       1.559200      0.5214000    
 C   0.6367000       1.550600     -0.3418000    
 C    1.557800      0.3649000     -0.1235000    
 C    2.331100     -8.7600000E-02  -1.176100    
 C    1.600400     -0.2323000       1.122300    
 C    3.178100      -1.177500     -0.9755000    
 C    2.447500      -1.322200       1.322800    
 C    3.236300      -1.794800      0.2738000    
 H  -0.9874000      0.2135000      -1.794200    
 H   -2.433300       1.160800      -1.420200    
 H   -3.249500       1.238800      0.9981000    
 H   -2.295800      0.3905000       2.221100    
 H   -2.015800      -1.870300      -1.244600    
 H   -2.979600      -1.006800      -2.441500    
 H   -4.342900     -0.8734000       1.614700    
 H   -2.869400      -1.786300       1.295000    
 H   -4.589900     -0.3000000     -0.7473000    
 H   -4.372400      -2.045400     -0.6167000    
 H  -0.3907000       1.644200       1.587200    
 H   -1.231200       2.454300      0.2821000    
 H   0.3729000       1.609500      -1.402000    
 H    1.794000       2.933600       1.238400    
 H    2.293000      0.3858000      -2.152700    
 H    1.022100      0.1160000       1.969900    
 H    3.792500      -1.545300      -1.792000    
 H    2.497200      -1.800200       2.296900    
 H    3.896800      -2.642600      0.4304000    


%chk=000120887-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120887

0 1
S 1.593345 3.217842 -0.002435
N -1.520943 0.391072 0.248897
C -1.929006 0.162594 -1.160979
C -2.697178 0.459783 1.156984
C -2.761222 -1.129451 -1.299238
C -3.542985 -0.825937 1.084332
C -3.993209 -1.097498 -0.368347
C -0.664636 1.589695 0.424060
C 0.661398 1.559844 -0.367068
C 1.580274 0.370298 -0.147388
C 2.602058 0.103507 -1.096995
C 1.469849 -0.474105 0.986391
C 3.498079 -0.970689 -0.917531
C 2.371238 -1.547591 1.172285
C 3.388233 -1.800251 0.224053
H -1.020991 0.076677 -1.784440
H -2.525363 1.031930 -1.550906
H -3.347879 1.339491 0.901963
H -2.328194 0.616187 2.188969
H -2.119552 -1.991523 -1.033537
H -3.069390 -1.252668 -2.355324
H -4.418065 -0.726555 1.755167
H -2.934591 -1.676662 1.447777
H -4.684254 -0.293337 -0.696753
H -4.552306 -2.050123 -0.431073
H -0.439958 1.683323 1.505204
H -1.197811 2.530058 0.132067
H 0.465028 1.680910 -1.447445
H 2.027701 2.844851 1.259474
H 2.703359 0.758391 -1.971464
H 0.660952 -0.315607 1.704703
H 4.280914 -1.160048 -1.660695
H 2.272177 -2.192956 2.052702
H 4.083630 -2.634752 0.369089


