%chk=000163804.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163804

0 1
 S    3.720800      -1.563400     -0.6123000    
 N   -3.047500       1.221700     -3.8000001E-03
 N   -1.770700       1.688400     -4.6700001E-02
 N   0.5798000       1.291800     -0.1092000    
 N    1.609100      0.4374000     -2.9100001E-02
 C   -4.677300     -0.5702000      6.7000002E-02
 C   -3.215200     -9.6500002E-02  1.8200001E-02
 C   -4.910300      -1.405400       1.344700    
 C   -4.983300      -1.440400      -1.171300    
 C   -5.707600      0.5818000      8.0799997E-02
 C   -2.234900      -1.035100      1.9000000E-03
 C  -0.9359000     -0.5603000     -4.1900001E-02
 C  -0.7483000      0.8071000     -6.5099999E-02
 C    2.811500      0.9326000     -7.4299999E-02
 C    3.937300     -5.5999998E-03  1.3700000E-02
 C    3.114000       2.415500     -0.1921000    
 C    5.159400      0.2226000      0.5457000    
 C    5.978700     -0.9384000      0.4418000    
 C    5.320200      -1.983400     -0.1680000    
 H   -5.958000      -1.718300       1.425600    
 H   -4.303900      -2.317500       1.364400    
 H   -4.665200     -0.8273000       2.243700    
 H   -4.378900      -2.353600      -1.200400    
 H   -6.033800      -1.754100      -1.182700    
 H   -4.790800     -0.8879000      -2.098700    
 H   -6.734700      0.2002000      0.1157000    
 H   -5.568100       1.231300      0.9531000    
 H   -5.619100       1.206700     -0.8159000    
 H   -2.417000      -2.102100      2.0400001E-02
 H  -0.1224000      -1.277700     -5.9200000E-02
 H   0.6962000       2.296900     -0.1217000    
 H    2.813200       2.920700      0.7303000    
 H    4.176200       2.602700     -0.3665000    
 H    2.565000       2.842500      -1.036700    
 H    5.481700       1.150500       1.000000    
 H    6.998500      -1.004600      0.7982000    
 H    5.701800      -2.973700     -0.3733000    


%chk=000163804-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163804

0 1
S 3.765100 -1.752780 0.068155
N -3.016757 1.167241 0.019696
N -1.707596 1.575433 0.021979
N 0.573905 1.187025 0.033098
N 1.683604 0.377554 0.043054
C -4.811486 -0.559786 0.023952
C -3.322365 -0.171352 0.027050
C -5.119156 -1.400975 1.299827
C -5.109630 -1.416296 -1.243996
C -5.720579 0.693510 0.012840
C -2.291529 -1.161739 0.036850
C -0.952152 -0.767937 0.039339
C -0.706167 0.634040 0.031644
C 2.887016 0.946771 0.044491
C 4.030943 0.045888 0.055784
C 3.093049 2.452218 0.036027
C 5.398533 0.335023 0.059460
C 6.245839 -0.828427 0.071744
C 5.539013 -2.021091 0.077893
H -6.183580 -1.700848 1.304113
H -4.508998 -2.321776 1.347460
H -4.923229 -0.811845 2.214063
H -4.500117 -2.338233 -1.275498
H -6.174286 -1.715261 -1.253294
H -4.905680 -0.838651 -2.163786
H -6.780847 0.377374 0.010971
H -5.537721 1.327828 0.896324
H -5.531313 1.316820 -0.877093
H -2.549007 -2.225513 0.042329
H -0.117907 -1.472243 0.046713
H 0.613029 2.215570 0.026933
H 2.629857 2.922612 0.926237
H 4.158333 2.720716 0.039685
H 2.638548 2.911340 -0.864450
H 5.797125 1.352150 0.053499
H 7.337256 -0.778249 0.075906
H 5.919452 -3.041214 0.087300


