%chk=000022837.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022837

1 1
 N    2.911500      -1.098000     -0.3790000    
 N   -5.751400      3.0000001E-04 -8.5100003E-02
 C    2.998700       1.222700     -2.2000000E-03
 C    4.367800      0.6140000      7.9099998E-02
 C    2.160300     -3.8500000E-02 -0.3096000    
 C    4.259900     -0.7542000     -0.1501000    
 C    2.585500       1.845700       1.333500    
 C    2.906200       2.236400      -1.145300    
 C    5.599000       1.197000      0.3293000    
 C   0.7064000      1.8900000E-02 -0.4899000    
 C    5.367400      -1.586800     -0.1389000    
 C    2.553300      -2.500200     -0.6450000    
 C    6.728200      0.3749000      0.3451000    
 C    6.613000      -1.005700      0.1126000    
 C  -0.1320000     -0.1427000      0.5251000    
 C   -1.556400     -0.1072000      0.3700000    
 C   -4.350000     -3.5100002E-02  6.7000002E-02
 C   -2.148400     -0.3141000     -0.8879000    
 C   -2.392800      0.1364000       1.473100    
 C   -3.534600     -0.2783000      -1.038300    
 C   -3.779100      0.1722000       1.322700    
 C   -6.354400     -0.2149000      -1.385500    
 C   -6.608300      0.2383000       1.059500    
 C   -6.329000       1.031600      -2.209200    
 C   -6.820700      -1.012700       1.848800    
 H    2.588300       1.105100       2.142300    
 H    3.265800       2.654200       1.624900    
 H    1.576200       2.268500       1.281200    
 H    3.159700       1.779700      -2.109600    
 H    1.891400       2.640000      -1.235300    
 H    3.587600       3.080400     -0.9892000    
 H    5.692200       2.262500      0.5088000    
 H   0.3977000      0.2258000      -1.508300    
 H    5.296900      -2.654200     -0.3162000    
 H    2.828600      -3.106600      0.2226000    
 H    3.079600      -2.836700      -1.542900    
 H    1.475900      -2.578700     -0.8118000    
 H    7.706500      0.8063000      0.5389000    
 H    7.504000      -1.627700      0.1292000    
 H   0.2546000     -0.3168000       1.525900    
 H   -1.563200     -0.5342000      -1.776800    
 H   -1.967600      0.3022000       2.460900    
 H   -3.914800     -0.4550000      -2.038100    
 H   -4.354900      0.3673000       2.220400    
 H   -5.910100      -1.064900      -1.915900    
 H   -7.403800     -0.5116000      -1.254300    
 H   -6.248300       1.061700       1.686900    
 H   -7.589100      0.5888000      0.7109000    
 H   -6.859800       1.847500      -1.705600    
 H   -5.316000       1.387300      -2.418100    
 H   -6.822600      0.8618000      -3.171700    
 H   -7.268300      -1.798500       1.229900    
 H   -5.894200      -1.418900       2.264700    
 H   -7.501600     -0.8240000       2.685400    


%chk=000022837-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022837

1 1
N 2.996166 -0.866548 0.597156
N -5.836343 -0.017657 -0.069311
C 3.189107 1.119968 -0.698922
C 4.560759 0.606348 -0.270748
C 2.243440 0.084608 -0.048947
C 4.400164 -0.566689 0.503048
C 2.914742 2.547829 -0.138392
C 3.036472 1.107801 -2.251289
C 5.847162 1.105307 -0.523319
C 0.835505 0.182352 -0.166734
C 5.488151 -1.267631 1.053910
C 2.500026 -2.088657 1.246334
C 6.962818 0.414278 0.015528
C 6.782217 -0.754525 0.794615
C -0.177201 -0.515187 0.512649
C -1.590628 -0.356547 0.331082
C -4.470011 -0.130010 0.061770
C -2.189303 0.514689 -0.644346
C -2.492104 -1.108406 1.161340
C -3.567984 0.628843 -0.777617
C -3.874131 -1.008885 1.040174
C -6.465972 0.812516 -1.131272
C -6.778193 -0.720258 0.843102
C -6.642893 2.290161 -0.718154
C -7.114010 -2.154032 0.377563
H 3.016869 2.576246 0.959929
H 3.639317 3.260197 -0.569894
H 1.899327 2.890739 -0.404791
H 3.214835 0.101426 -2.667208
H 2.028644 1.441990 -2.555066
H 3.770904 1.800055 -2.698327
H 5.997000 2.010099 -1.122023
H 0.519855 0.962121 -0.869267
H 5.366363 -2.165306 1.667378
H 2.121904 -1.880789 2.263473
H 3.320573 -2.817240 1.319209
H 1.696775 -2.536464 0.638228
H 7.974585 0.788790 -0.168310
H 7.655136 -1.269868 1.207481
H 0.104128 -1.232363 1.292772
H -1.555115 1.112941 -1.307151
H -2.075105 -1.789514 1.913669
H -3.966759 1.318635 -1.525091
H -4.505028 -1.620705 1.688656
H -5.876171 0.730862 -2.060743
H -7.451949 0.366113 -1.351543
H -6.363741 -0.725233 1.866163
H -7.701547 -0.115549 0.886917
H -7.271640 2.378007 0.185450
H -5.672369 2.770541 -0.504695
H -7.136447 2.852305 -1.530657
H -7.571376 -2.148953 -0.627602
H -6.212467 -2.789669 0.337481
H -7.833662 -2.617780 1.075245


