%chk=000003802.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003802

0 1
 N   -1.368900      -1.064700      0.3744000    
 N   -4.126700      -1.773600      0.2512000    
 N   0.8552000      -1.403100      7.7600002E-02
 N    2.309300       1.105000      0.8223000    
 N    4.291400     -2.2700001E-02  0.3131000    
 C   -1.758900      -2.399000     -7.9499997E-02
 C   -2.330600     -0.4076000       1.258500    
 C   -3.160900      -2.358100     -0.6904000    
 C   -3.720300     -0.4095000      0.6186000    
 C  -0.1270000     -0.5503000      0.1394000    
 C  -2.4900001E-02  0.9332000     -3.3000000E-03
 C   -5.470300      -1.771800     -0.3256000    
 C    1.083600       1.665100      0.4339000    
 C   -1.148000       1.617000     -0.5133000    
 C    2.215900      -1.162000     -0.1049000    
 C   -1.193100       3.009900     -0.5494000    
 C    1.006000       3.076100      0.4089000    
 C    2.928200     -5.5799998E-02  0.3501000    
 C  -0.1187000       3.743000     -7.2700001E-02
 C    2.952700      -2.226400     -0.6517000    
 C   -2.387700       3.706700      -1.107100    
 C    4.336400      -2.184000     -0.7283000    
 C    4.957200      -1.067400     -0.2218000    
 H   -1.729100      -3.093900      0.7687000    
 H   -1.067100      -2.781900     -0.8393000    
 H   -2.054800      0.6026000       1.574000    
 H   -2.370300     -0.9841000       2.193300    
 H   -3.137200      -1.782500      -1.625600    
 H   -3.457500      -3.383300     -0.9428000    
 H   -4.428200     -4.9000001E-03   1.352600    
 H   -3.760700      0.2481000     -0.2557000    
 H   -6.196100      -1.372800      0.3917000    
 H   -5.789400      -2.793800     -0.5591000    
 H   -5.528000      -1.174700      -1.243000    
 H   -1.971500       1.070400     -0.9597000    
 H    2.976500       1.774500       1.194500    
 H    1.852900       3.672600      0.7456000    
 H  -0.1294000       4.829100     -8.9299999E-02
 H    2.436700      -3.118500      -1.002500    
 H   -3.305900       3.157100     -0.8732000    
 H   -2.498200       4.710200     -0.6822000    
 H   -2.297300       3.796100      -2.194100    
 H    4.903000      -3.007000      -1.146800    
 H    6.037600     -0.9730000     -0.2313000    


%chk=000003802-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003802

0 1
N -1.512747 -0.961607 0.198552
N -4.214696 -1.958437 0.375290
N 0.743020 -1.389701 -0.157096
N 2.162509 0.899204 1.162405
N 4.192695 -0.049114 0.482576
C -1.789497 -2.403456 0.009495
C -2.503936 -0.318141 1.095502
C -3.220460 -2.590564 -0.524657
C -3.927007 -0.516490 0.547038
C -0.201100 -0.487061 0.044439
C -0.034411 1.006647 0.002842
C -5.604350 -2.209997 -0.050411
C 1.090107 1.645331 0.601059
C -1.012883 1.810246 -0.640171
C 2.118244 -1.143726 -0.279796
C -0.957490 3.223261 -0.642995
C 1.135909 3.063713 0.638991
C 2.837659 -0.115804 0.424141
C 0.121052 3.837695 0.044903
C 2.913874 -2.079157 -0.992787
C -2.004868 4.054570 -1.363182
C 4.324070 -1.997174 -0.967990
C 4.925532 -0.982541 -0.194331
H -1.675214 -2.943015 0.972814
H -1.042038 -2.808418 -0.689369
H -2.280273 0.752726 1.204973
H -2.442692 -0.791452 2.099271
H -3.277848 -2.167791 -1.561572
H -3.440461 -3.672704 -0.588571
H -4.654977 -0.091712 1.263423
H -4.028271 0.045466 -0.419490
H -6.303889 -1.777016 0.687114
H -5.787398 -3.298405 -0.096581
H -5.845927 -1.775433 -1.053839
H -1.841669 1.302382 -1.147512
H 2.840300 1.452596 1.699148
H 1.988575 3.556569 1.121396
H 0.182956 4.931876 0.090689
H 2.397955 -2.883156 -1.527051
H -2.909708 3.462491 -1.585870
H -2.311558 4.930038 -0.762191
H -1.618150 4.440528 -2.326312
H 4.941356 -2.717734 -1.513091
H 6.013605 -0.895232 -0.105398


