%chk=000003537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003537

0 1
 S  -0.2752000      0.9064000      -2.053500    
 N   -4.194300     -0.8847000       1.012100    
 N   -4.085300       1.469200      0.5079000    
 N   -2.430400       2.369300     -0.8132000    
 N   -5.794000      0.6079000       1.859300    
 C    4.924600     -5.0000001E-02  0.9142000    
 C    3.645500      0.1847000      0.1844000    
 C    4.753700      -1.136700       2.020700    
 C    5.427300       1.253400       1.609100    
 C    6.121200     -0.5390000      3.2099999E-02
 C    2.517400      0.6230000      0.8776000    
 C    3.577600     -3.3399999E-02  -1.191700    
 C    1.253700      0.6252000      -1.181100    
 C    1.321100      0.8432000      0.1948000    
 C    2.381500      0.1869000      -1.874600    
 C   -1.270600     -0.2878000      -1.140700    
 C   -2.426000     -4.9800001E-02 -0.3761000    
 C   -3.088700      -1.101000      0.2783000    
 C  -0.7676000      -1.579700      -1.257700    
 C   -2.980200       1.217400     -0.2189000    
 C   -2.563500      -2.383900      0.1442000    
 C   -1.414900      -2.628800     -0.6143000    
 C   -4.632600      0.3884000       1.087100    
 H    5.699900      -1.330600       2.538800    
 H    4.025000     -0.8352000       2.781100    
 H    4.407100      -2.082300       1.587200    
 H    4.716600       1.617600       2.359000    
 H    6.382200       1.089300       2.121700    
 H    5.572700       2.054600      0.8748000    
 H    7.023100     -0.6887000      0.6380000    
 H    5.898200      -1.497100     -0.4519000    
 H    6.374400      0.1935000     -0.7432000    
 H    2.542800      0.8025000       1.948600    
 H    4.423100     -0.3739000      -1.779100    
 H   0.4589000       1.194100      0.7564000    
 H    2.346500      1.1200000E-02  -2.947000    
 H   0.1068000      -1.823400      -1.856000    
 H   -3.052100      -3.222500      0.6366000    
 H   -1.032600      -3.641400     -0.7046000    
 H   -2.454800       2.360400      -1.829000    
 H   -1.504900       2.608800     -0.4687000    
 H   -6.163500       1.544600       1.946300    
 H   -6.243200     -0.1746000       2.314700    


%chk=000003537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003537

0 1
S -0.213605 0.096774 -2.363963
N -4.343792 -0.564425 1.095323
N -3.627269 1.710387 0.558904
N -1.895836 2.219169 -0.870866
N -5.402760 1.307210 2.016614
C 5.069544 0.127614 0.995587
C 3.769985 0.104814 0.156870
C 5.232722 -1.232177 1.740120
C 4.985025 1.279715 2.042666
C 6.330408 0.356414 0.122784
C 2.517095 -0.112670 0.793790
C 3.756459 0.295848 -1.248339
C 1.324384 0.059338 -1.325327
C 1.305226 -0.133233 0.073476
C 2.552346 0.270648 -1.988636
C -1.439001 -0.823898 -1.297192
C -2.429502 -0.189762 -0.472716
C -3.347852 -1.049641 0.265239
C -1.359484 -2.221541 -1.397040
C -2.650285 1.250505 -0.262523
C -3.234948 -2.472181 0.147943
C -2.259069 -3.047978 -0.665186
C -4.426850 0.784899 1.197336
H 6.151370 -1.221323 2.356538
H 4.378709 -1.437620 2.410001
H 5.307142 -2.068175 1.020723
H 4.122150 1.153427 2.721094
H 5.902286 1.301884 2.660893
H 4.880129 2.259497 1.541665
H 7.229313 0.363738 0.765961
H 6.462060 -0.446474 -0.626288
H 6.291979 1.325991 -0.407710
H 2.475688 -0.266717 1.878267
H 4.692374 0.459160 -1.790249
H 0.359442 -0.306586 0.596816
H 2.577293 0.406792 -3.075789
H -0.598606 -2.668463 -2.043218
H -3.945961 -3.075389 0.719766
H -2.181421 -4.137033 -0.751575
H -2.128918 3.187225 -0.654270
H -1.149130 1.974743 -1.527702
H -5.488818 2.315371 2.105033
H -6.023523 0.671222 2.508881


