%chk=000030754.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030754

0 1
 S   -4.050300      -1.046200      0.2931000    
 N   0.9058000      -1.795800      0.3114000    
 N   0.1610000      0.4251000      0.1940000    
 N  -0.6443000       2.624700      7.6600000E-02
 N   -1.403700      -1.390900      0.3005000    
 N   -2.196800      0.8706000      0.1804000    
 N    2.795300     -8.8799998E-02  -1.950300    
 C    2.302000      -1.401600      0.2811000    
 C    3.163400      -2.664800      0.3476000    
 C    2.586700     -0.5008000       1.486200    
 C  -0.1413000     -0.8953000      0.2675000    
 C    2.577300     -0.6670000     -0.9678000    
 C  -0.9059000       1.239600      0.1543000    
 C   0.6795000       3.162800      4.0500000E-02
 C   -2.369400     -0.4590000      0.2538000    
 C   0.6535000       4.677300     -7.7799998E-02
 C   -4.112700      -2.089800      -1.191100    
 H   0.6638000      -2.778600      0.3687000    
 H    2.955400      -3.335600     -0.4952000    
 H    4.232500      -2.423800      0.3171000    
 H    2.971600      -3.228600       1.268200    
 H    2.177900      0.5100000       1.407100    
 H    3.668800     -0.3652000       1.612200    
 H    2.207700     -0.9446000       2.414800    
 H    1.223700       2.891200      0.9524000    
 H    1.232900       2.754700     -0.8134000    
 H   -1.451100       3.237500      4.9300000E-02
 H   0.1379000       4.990200     -0.9920000    
 H   0.1304000       5.127900      0.7724000    
 H    1.672100       5.076400     -0.1044000    
 H   -5.124900      -2.484200      -1.312200    
 H   -3.418500      -2.929100      -1.097100    
 H   -3.855000      -1.503300      -2.077100    


%chk=000030754-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030754

0 1
S -4.156211 -0.696689 -0.484686
N 0.815956 -1.614152 -0.007035
N 0.128199 0.625927 0.268765
N -0.710566 2.829872 0.411620
N -1.459644 -1.163094 -0.229424
N -2.249453 1.123574 0.002704
N 3.206288 0.461142 -1.541612
C 2.256299 -1.350835 0.203806
C 3.011523 -2.682112 -0.067886
C 2.541672 -0.852460 1.649620
C -0.191405 -0.674211 0.018099
C 2.752565 -0.327866 -0.770498
C -0.937504 1.495137 0.225910
C 0.613269 3.452210 0.576789
C -2.430109 -0.206483 -0.206712
C 0.830495 4.605055 -0.423683
C -3.956830 -2.549701 -0.735120
H 0.522069 -2.558338 -0.263159
H 2.835110 -3.038836 -1.097735
H 4.095093 -2.537982 0.067772
H 2.670287 -3.450995 0.648663
H 1.981165 0.073895 1.846017
H 3.620764 -0.660044 1.781580
H 2.224547 -1.630200 2.366233
H 0.722987 3.824898 1.615536
H 1.360940 2.657482 0.424427
H -1.545049 3.419111 0.367455
H 0.780050 4.235108 -1.462148
H 0.072381 5.401368 -0.298705
H 1.825156 5.059267 -0.266177
H -4.975639 -2.931353 -0.906925
H -3.514604 -3.002404 0.162895
H -3.314499 -2.741289 -1.605587


