%chk=000051233.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051233

0 1
 S    4.322200       1.692200     -0.3319000    
 N    1.147800      -2.151500     -0.3327000    
 N   8.7200001E-02 -1.5500000E-02 -0.2961000    
 N    2.419800     -0.1650000     -0.4023000    
 N   -3.860600      -1.015500      0.7193000    
 N    1.911900       1.928700      0.5718000    
 C    2.393400      -2.899400     -0.4271000    
 C    3.292000      -2.489000      0.7390000    
 C    2.053700      -4.387300     -0.3467000    
 C    3.054100      -2.569800      -1.765300    
 C    1.201900     -0.8488000     -0.3758000    
 C   -1.252900     -0.3286000      3.3799998E-02
 C   -2.315900      0.5118000     -0.3241000    
 C   -3.621500      0.1245000      4.3900002E-02
 C   -1.496300      -1.503900      0.7297000    
 C   -2.807000      -1.798700       1.045600    
 C   -2.102800       1.708600      -1.028900    
 C   -4.677000      0.9597000     -0.3118000    
 C   -3.176800       2.524900      -1.371800    
 C    2.743000       1.111100     -2.2500001E-02
 C   -4.465300       2.149700      -1.012600    
 C   -3.116500      -3.052600       1.793400    
 C    2.565900       3.121900      0.8087000    
 C    3.878000       3.183700      0.3888000    
 C    1.822000       4.208800       1.475700    
 H    2.712800      -2.218800       1.630400    
 H    3.918100      -3.341800       1.034600    
 H    4.020300      -1.698100      0.5469000    
 H    1.361100      -4.678700      -1.145000    
 H    1.566000      -4.627400      0.6054000    
 H    2.951100      -5.009900     -0.4330000    
 H    2.496000      -1.867700      -2.395100    
 H    4.086700      -2.216100      -1.662200    
 H    3.139200      -3.477100      -2.378700    
 H   0.2542000      0.9663000     -0.4815000    
 H  -0.7176000      -2.169100       1.078900    
 H    3.218600     -0.6331000     -0.7995000    
 H   -1.117800       2.040100      -1.342400    
 H   -5.696000      0.6882000     -4.2300001E-02
 H   -3.009100       3.447800      -1.918700    
 H   -5.309300       2.780300      -1.276500    
 H   -2.620200      -3.046500       2.769100    
 H   -2.781100      -3.926800       1.226400    
 H   -4.193600      -3.153800       1.963300    
 H    4.577400       4.004100      0.4672000    
 H   0.7666000       4.191400       1.185100    
 H    1.879900       4.095600       2.562700    
 H    2.226000       5.190900       1.209800    


%chk=000051233-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051233

0 1
S 4.448915 2.032215 -0.307180
N 1.344980 -2.157426 -0.003910
N 0.244761 -0.044017 0.050052
N 2.602083 -0.073578 -0.124098
N -3.899767 -1.119964 0.350548
N 1.788544 2.199946 -0.094993
C 2.503644 -3.096034 -0.074174
C 3.468732 -2.935251 1.139819
C 1.873552 -4.512348 0.000347
C 3.270564 -2.981371 -1.427119
C 1.379702 -0.855052 -0.023521
C -1.103877 -0.432066 0.151430
C -2.105904 0.621815 0.228253
C -3.490739 0.210524 0.325272
C -1.539697 -1.765914 0.181072
C -2.937320 -2.065735 0.281074
C -1.806341 2.022413 0.215019
C -4.512788 1.210105 0.401594
C -2.826484 2.976878 0.292638
C 2.763373 1.298315 -0.158673
C -4.191971 2.569685 0.386078
C -3.386679 -3.513049 0.314112
C 2.264001 3.526022 -0.155599
C 3.634797 3.647858 -0.268079
C 1.275767 4.659586 -0.093876
H 2.894492 -2.965966 2.082490
H 4.197501 -3.765751 1.149850
H 4.049079 -1.992648 1.132452
H 1.174471 -4.659573 -0.841361
H 1.302716 -4.622215 0.938924
H 2.650936 -5.297452 -0.039177
H 2.557650 -3.048126 -2.267767
H 3.837585 -2.038023 -1.544123
H 3.994781 -3.810909 -1.519044
H 0.456305 0.974369 0.022656
H -0.798993 -2.563977 0.126770
H 3.447603 -0.639129 -0.176351
H -0.770445 2.372581 0.145055
H -5.546501 0.857784 0.473111
H -2.576876 4.044185 0.282154
H -4.983856 3.324570 0.445944
H -2.962179 -4.040491 1.189381
H -3.048049 -4.056289 -0.588167
H -4.485246 -3.558644 0.369063
H 4.236768 4.550821 -0.331446
H 0.549644 4.588980 -0.924362
H 0.705094 4.627859 0.852407
H 1.785269 5.634285 -0.159550


