%chk=000041027.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041027

0 1
 S  -0.4139000       2.040800       1.894900    
 N    1.168300       2.645600     -0.2661000    
 C   8.9999996E-03  0.4009000     -0.3649000    
 C   -1.437100     -8.4700003E-02 -0.2041000    
 C    1.058300     -0.6993000     -0.1708000    
 C   0.3056000       1.736900      0.3812000    
 C   -1.736200     -0.9138000      0.8502000    
 C    1.253600      -1.606500      -1.185100    
 C   -2.373000      0.3292000      -1.121200    
 C    1.761300     -0.7347000       1.010100    
 C   -3.051200      -1.355800      0.9963000    
 C    2.208200      -2.608100      -1.008200    
 C   -3.687900     -0.1127000     -0.9750000    
 C    2.715900      -1.736200       1.187000    
 C    1.772200       2.377600      -1.575000    
 C    1.534400       3.948800      0.2890000    
 C   -4.027000     -0.9552000      8.3700001E-02
 C    2.939300      -2.672800      0.1779000    
 H   8.1900001E-02  0.6439000      -1.434100    
 H  -0.9999000      -1.238100       1.577300    
 H   0.6881000      -1.563500      -2.110600    
 H   -2.119800      0.9878000      -1.946000    
 H    1.618100     -3.4100000E-02   1.821100    
 H   -3.315700      -2.010700       1.821400    
 H    2.381900      -3.337700      -1.793700    
 H   -4.448200      0.2001000      -1.684900    
 H    3.284600      -1.788100       2.111000    
 H    1.009200       2.520200      -2.345600    
 H    2.602100       3.066500      -1.760900    
 H    2.164700       1.360600      -1.622000    
 H    1.275500       4.721700     -0.4420000    
 H    1.037200       4.189700       1.227900    
 H    2.615800       3.960100      0.4589000    
 H   -5.050900      -1.298700      0.1978000    
 H    3.682300      -3.452900      0.3159000    


%chk=000041027-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041027

0 1
S -0.425275 2.129669 1.805536
N 1.186162 2.620552 -0.315828
C -0.025618 0.459726 -0.482540
C -1.446587 -0.062727 -0.220738
C 1.055889 -0.613147 -0.236836
C 0.285096 1.768714 0.281325
C -1.744430 -0.923503 0.863200
C 1.298615 -1.582152 -1.245368
C -2.493244 0.326164 -1.092791
C 1.793797 -0.686526 0.970858
C -3.063587 -1.380138 1.072966
C 2.257806 -2.600402 -1.054993
C -3.815722 -0.125798 -0.884072
C 2.755627 -1.705242 1.162575
C 1.914222 2.311824 -1.569462
C 1.485901 3.925241 0.313601
C -4.104958 -0.982300 0.202399
C 2.992106 -2.665195 0.152737
H 0.000118 0.701820 -1.564385
H -0.944611 -1.234382 1.542349
H 0.721752 -1.544761 -2.178279
H -2.275221 0.993904 -1.936659
H 1.608146 0.051798 1.759579
H -3.280740 -2.043696 1.917731
H 2.431386 -3.341369 -1.843649
H -4.614737 0.186806 -1.566098
H 3.317227 -1.750080 2.102739
H 1.354300 2.656357 -2.461459
H 2.887673 2.829010 -1.551377
H 2.115159 1.233721 -1.659224
H 1.989816 4.571592 -0.423658
H 0.550803 4.397998 0.657424
H 2.131126 3.794931 1.202631
H -5.128609 -1.337301 0.367546
H 3.737312 -3.454309 0.303617


