%chk=000086627.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086627

0 1
 S    7.206000       1.611800      -1.215500    
 N   -6.064900      3.7900001E-02 -0.2135000    
 N    6.041600     -0.2895000      0.4355000    
 C   -4.663600      0.1109000     -7.1800001E-02
 C   -1.910600      0.2539000      0.2063000    
 C   -3.893800      -1.050200     -0.1447000    
 C   -4.047200       1.344100      0.1409000    
 C   -2.507800     -0.9781000     -4.4999998E-03
 C   -2.661200       1.416100      0.2810000    
 C  -0.4465000      0.3302000      0.3542000    
 C    1.876600     -0.5298000      6.4300001E-02
 C   -6.783800      -1.150000      0.2021000    
 C   -6.806100       1.155500     -0.7636000    
 C   0.4302000     -0.6132000     -6.4199999E-02
 C    2.444800      0.3397000      0.9952000    
 C    2.695300      -1.319800     -0.7427000    
 C    3.831900      0.4193000       1.119100    
 C    4.082400      -1.240400     -0.6189000    
 C    4.650800     -0.3708000      0.3121000    
 C    6.525900      0.5225000     -0.2711000    
 H   -4.341900      -2.024900     -0.3163000    
 H   -4.617800       2.265500      0.2145000    
 H   -1.951700      -1.909000     -4.7699999E-02
 H   -2.196000       2.384000      0.4475000    
 H  -9.4700001E-02   1.250100      0.8132000    
 H   -7.849900     -0.9385000      0.3416000    
 H   -6.410700      -1.530300       1.159700    
 H   -6.701300      -1.937900     -0.5539000    
 H   -6.290800       1.593800      -1.625800    
 H   -7.794200      0.8388000      -1.116000    
 H   -6.960100       1.930200     -5.1000002E-03
 H   7.7399999E-02  -1.506700     -0.5720000    
 H    1.849500      0.9571000       1.661100    
 H    2.271100      -2.002900      -1.474700    
 H    4.263900       1.095400       1.852500    
 H    4.710500      -1.862000      -1.251900    


%chk=000086627-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086627

0 1
S 8.946299 0.227776 0.242837
N -6.254113 -0.035311 -0.096112
N 6.118842 -0.008283 0.123928
C -4.862502 0.068387 -0.052372
C -1.972791 0.271536 0.040051
C -4.022674 -1.067234 -0.309100
C -4.214296 1.309322 0.250274
C -2.626698 -0.960855 -0.262728
C -2.814674 1.394627 0.292314
C -0.520530 0.433428 0.103333
C 1.888585 -0.353390 -0.039059
C -6.889563 -1.322251 -0.409279
C -7.088511 1.143709 0.170591
C 0.436051 -0.532162 -0.108292
C 2.522780 0.890854 0.268702
C 2.738563 -1.473872 -0.289583
C 3.918610 1.009617 0.323552
C 4.137899 -1.372621 -0.239065
C 4.745161 -0.123767 0.069712
C 7.320104 0.092704 0.171339
H -4.468996 -2.037384 -0.545381
H -4.804744 2.207068 0.452645
H -2.030994 -1.857953 -0.466413
H -2.350938 2.361394 0.527866
H -0.186282 1.452029 0.350438
H -7.983988 -1.201300 -0.403041
H -6.629249 -2.101781 0.335274
H -6.594087 -1.694147 -1.411160
H -6.901582 1.954604 -0.562628
H -8.151248 0.863773 0.102094
H -6.908675 1.552945 1.185319
H 0.108221 -1.551608 -0.355717
H 1.915452 1.779670 0.468615
H 2.282749 -2.442373 -0.528368
H 4.389525 1.969104 0.560615
H 4.771594 -2.243455 -0.434301


