%chk=000052579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052579

2 1
 N  -0.3438000      -1.071900      0.1104000    
 N    3.196600      0.2471000     -0.3647000    
 C   -2.405500     -2.8800000E-02  0.8130000    
 C   -2.473400     -0.2598000     -0.6898000    
 C  -0.9113000      1.0500000E-02   1.072000    
 C   -1.487400      -1.394700     -0.8930000    
 C   0.8746000     -0.5356000     -0.6240000    
 C   -3.189200       1.221600       1.203800    
 C   -3.909800     -0.5293000      -1.131100    
 C   4.4300001E-02  -2.321600      0.8844000    
 C    1.987000     -0.2186000      0.3565000    
 C   -4.535800       1.251500      0.5271000    
 C   -4.863300      0.4569000     -0.5064000    
 C    2.892800       1.512000      -1.179700    
 C    4.327300      0.5751000      0.6205000    
 C    3.705100     -0.8318000      -1.331300    
 C    2.388800       2.594400     -0.2503000    
 C    4.702900     -0.6769000       1.382700    
 H   -2.834800     -0.8935000       1.341800    
 H   -2.103600      0.6311000      -1.219900    
 H  -0.4916000      0.9809000      0.7877000    
 H  -0.6394000     -0.2317000       2.103600    
 H   -1.915300      -2.366300     -0.6235000    
 H   -1.080600      -1.441000      -1.907800    
 H   0.5219000      0.3404000      -1.175600    
 H    1.153600      -1.312200      -1.343000    
 H   -2.642100       2.131700      0.9308000    
 H   -3.325000       1.239800       2.291100    
 H   -4.224400      -1.542100     -0.8530000    
 H   -3.973300     -0.4592000      -2.222900    
 H   0.5471000      -3.014300      0.2035000    
 H   0.6782000      -2.058300       1.734200    
 H  -0.8711000      -2.778200       1.274700    
 H    2.274700      -1.139400      0.8643000    
 H    1.718000      0.5006000       1.134500    
 H   -5.271100       1.954000      0.9087000    
 H   -5.862600      0.5207000     -0.9274000    
 H    3.829400       1.823000      -1.658200    
 H    2.179500       1.278500      -1.974800    
 H    5.176500      0.9702000      5.2400000E-02
 H    3.978800       1.321900       1.337500    
 H    3.646600      -1.814200     -0.8548000    
 H    3.084200     -0.8237000      -2.232300    
 H    4.734600     -0.5908000      -1.614700    
 H    2.171400       3.482800     -0.8570000    
 H    1.449600       2.352000      0.2502000    
 H    3.120400       2.927800      0.4882000    
 H    5.556500     -0.4394000       2.029900    
 H    3.918000      -1.027700       2.057700    
 H    5.033800      -1.503800      0.7504000    


%chk=000052579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052579

2 1
N -0.399586 -1.072350 0.052595
N 3.322862 0.217023 -0.368901
C -2.492993 -0.065612 0.858509
C -2.608079 -0.188515 -0.683873
C -0.975224 -0.020529 1.070572
C -1.554602 -1.247295 -1.034247
C 0.873203 -0.574552 -0.651991
C -3.297038 1.145236 1.376660
C -4.060218 -0.504592 -1.103460
C -0.167335 -2.411640 0.751930
C 2.025304 -0.239245 0.325080
C -4.677441 1.157981 0.728498
C -5.018844 0.416548 -0.357792
C 3.107684 1.481475 -1.264737
C 4.376449 0.572657 0.742084
C 3.890702 -0.889721 -1.263151
C 2.534218 2.712034 -0.556293
C 4.869538 -0.603195 1.590974
H -2.913507 -0.981168 1.323301
H -2.327080 0.788123 -1.130364
H -0.580240 0.970892 0.782920
H -0.628678 -0.284452 2.082600
H -1.947176 -2.270465 -0.912958
H -1.103401 -1.149199 -2.034633
H 0.566779 0.314125 -1.228838
H 1.167338 -1.370399 -1.357424
H -2.767149 2.096739 1.156534
H -3.405658 1.099476 2.476654
H -4.311225 -1.565266 -0.890393
H -4.190171 -0.371180 -2.193960
H 0.146341 -3.162606 0.009661
H 0.592942 -2.310177 1.541021
H -1.112803 -2.731078 1.214889
H 2.305627 -1.118945 0.924869
H 1.737690 0.572314 1.012269
H -5.426456 1.808039 1.195067
H -6.042297 0.469961 -0.746429
H 4.102940 1.703136 -1.687486
H 2.461721 1.163782 -2.101447
H 5.215605 1.038938 0.197273
H 3.903207 1.341516 1.373949
H 3.906637 -1.844324 -0.717988
H 3.282714 -0.981815 -2.175665
H 4.917708 -0.616833 -1.549601
H 2.429679 3.509521 -1.313519
H 1.527948 2.550016 -0.130133
H 3.195146 3.114255 0.227792
H 5.607523 -0.197163 2.306205
H 4.081283 -1.075803 2.201413
H 5.396213 -1.375968 1.008365


