%chk=000054961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054961

0 1
 N    1.733300     -0.3750000     -0.2723000    
 N   0.2001000      -3.958600       1.664600    
 N  -1.3900000E-02   1.753600      0.7331000    
 N    3.596600      0.9788000      0.4036000    
 C    2.615700      -1.534300     -0.1137000    
 C    1.803600      -2.796400      0.1748000    
 C   0.8162000     -0.3818000      -1.346400    
 C   0.9115000      -2.710400       1.417100    
 C  -0.3454000      0.4104000      -1.330900    
 C    2.245100      0.8312000      0.2746000    
 C  -0.7801000       1.118300     -9.5399998E-02
 C    1.375800       1.872200      0.6279000    
 C    1.064100      -1.134700      -2.515300    
 C   -1.180100      0.4890000      -2.461700    
 C   -2.231500       1.095400      0.2570000    
 C   0.2201000      -1.073800      -3.627100    
 C  -0.8959000     -0.2509000      -3.604700    
 C    1.934800       3.077600       1.079200    
 C  -0.7045000      -4.265500      0.5552000    
 C  -0.5459000      -3.886600       2.922300    
 C    3.308100       3.236500       1.176100    
 C    4.091500       2.157600      0.8379000    
 C   -3.007500      6.6000000E-03 -0.1149000    
 C   -2.782900       2.162800      0.9517000    
 C   -4.362800     -1.5000000E-02  0.2143000    
 C   -4.138100       2.141000       1.280900    
 C   -4.928000       1.052100      0.9122000    
 H    3.285000      -1.667100     -0.9718000    
 H    3.276100      -1.407000      0.7557000    
 H    2.512200      -3.625100      0.3084000    
 H    1.215700      -3.052200     -0.7092000    
 H   0.2035000      -1.877200       1.323900    
 H    1.556100      -2.482900       2.276000    
 H    1.947700      -1.759100      -2.615700    
 H   -2.055500       1.133700      -2.476600    
 H   0.4504000      -1.655100      -4.515100    
 H   -1.545400     -0.1863000      -4.472200    
 H    1.286900       3.897700       1.381900    
 H   -1.366700      -3.426900      0.3106000    
 H   -1.336500      -5.126300      0.8057000    
 H  -0.1602000      -4.567600     -0.3443000    
 H   -1.036700      -4.842800       3.135100    
 H   -1.310800      -3.101600       2.904600    
 H   0.1310000      -3.690400       3.761400    
 H    3.743800       4.164600       1.525900    
 H    5.172800       2.207900      0.9062000    
 H   -2.595800     -0.8648000     -0.6149000    
 H   -2.191300       3.026700       1.241100    
 H   -4.975700     -0.8678000     -6.2700003E-02
 H   -4.579100       2.972500       1.822800    
 H   -5.982800       1.034200       1.170500    


%chk=000054961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054961

0 1
N 1.763583 -0.346663 -0.246776
N -0.016394 -3.949339 1.621588
N -0.012242 1.872249 0.600447
N 3.628922 1.011074 0.335892
C 2.597493 -1.552112 0.011155
C 1.736973 -2.820017 0.197521
C 0.920946 -0.319878 -1.416025
C 0.824287 -2.737541 1.438100
C -0.316874 0.389899 -1.387304
C 2.281024 0.914162 0.179815
C -0.776656 1.105542 -0.153126
C 1.383803 1.999347 0.493474
C 1.304812 -1.000058 -2.600284
C -1.110495 0.438896 -2.564423
C -2.220282 1.022742 0.233151
C 0.493584 -0.957155 -3.753456
C -0.713211 -0.221576 -3.745263
C 1.973209 3.217909 0.919257
C -1.094570 -4.056015 0.617355
C -0.557283 -4.035126 2.995256
C 3.374969 3.334176 1.028694
C 4.161773 2.194784 0.754681
C -3.017714 -0.102414 -0.116197
C -2.802905 2.056376 1.017682
C -4.363146 -0.186208 0.303369
C -4.148072 1.975641 1.427288
C -4.935784 0.853224 1.071494
H 3.355137 -1.705806 -0.784936
H 3.173222 -1.339690 0.927628
H 2.413126 -3.688694 0.311319
H 1.137477 -3.003665 -0.713367
H 0.199776 -1.809676 1.380798
H 1.463802 -2.636202 2.336703
H 2.247835 -1.553633 -2.623587
H -2.051360 0.998758 -2.543295
H 0.810021 -1.489328 -4.657486
H -1.339726 -0.170505 -4.641651
H 1.305931 4.041095 1.192828
H -1.812089 -3.194101 0.656392
H -1.666280 -4.985778 0.788301
H -0.673391 -4.104086 -0.401045
H -1.115140 -4.981442 3.116061
H -1.248188 -3.192230 3.254340
H 0.273161 -4.032773 3.723559
H 3.844063 4.268495 1.350655
H 5.251731 2.215008 0.865860
H -2.580052 -0.918503 -0.700712
H -2.173891 2.907070 1.296668
H -4.962144 -1.063491 0.034692
H -4.586180 2.784317 2.022902
H -5.981991 0.790142 1.391410


