%chk=000004853.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004853

0 1
 O  -0.9999000      0.1392000       1.850500    
 N    3.015400      0.4193000     -0.3230000    
 N   -1.222200      -2.171600     -0.6806000    
 C    3.287800      0.4544000       1.131200    
 C    4.238600      0.3119000      -1.147000    
 C    4.083900     -0.7918000       1.554000    
 C    5.052500     -0.9323000     -0.7409000    
 C    5.364700     -0.9583000      0.7489000    
 C    2.134700       1.513300     -0.7341000    
 C   0.8083000       1.441000      2.3700001E-02
 C    3.965400       1.738900       1.635700    
 C    3.938000      0.2102000      -2.650600    
 C   7.7100001E-02  0.1184000     -0.2725000    
 C   -1.296100     -3.2200001E-02  0.4513000    
 C   -2.323700       1.051800      8.6300001E-02
 C   -1.888400      -1.426800      0.2019000    
 C   -2.787400       1.101800      -1.204400    
 C   -2.730600       1.920500       1.067800    
 C   -3.016600      -1.770600      0.8892000    
 C   -3.719300       2.085500      -1.535700    
 C   -3.662600       2.904100      0.7367000    
 C   -3.527500      -3.039700      0.6407000    
 C   -4.156900       2.986500     -0.5651000    
 C   -1.748200      -3.398200     -0.8963000    
 C   -2.887200      -3.875300     -0.2678000    
 H    2.352000      0.3487000       1.689400    
 H    4.866300       1.200400      -1.001300    
 H    3.457200      -1.682800       1.411900    
 H    4.324000     -0.7502000       2.623200    
 H    5.994400     -0.9643000      -1.302100    
 H    4.497000      -1.842100      -1.005600    
 H    6.073900     -0.1595000      0.9945000    
 H    5.849700      -1.905200       1.011200    
 H    1.883200       1.437500      -1.797100    
 H    2.601700       2.495000     -0.5970000    
 H   0.1872000       2.269300     -0.3413000    
 H   0.9168000       1.625100       1.095900    
 H    3.319700       2.613400       1.510800    
 H    4.913300       1.941900       1.129200    
 H    4.180200       1.658200       2.707500    
 H    4.846100     -4.0500000E-02  -3.210800    
 H    3.575200       1.158700      -3.058600    
 H    3.194600     -0.5675000      -2.858700    
 H   0.7247000     -0.7072000      5.0900001E-02
 H  -4.9500000E-02  2.3499999E-02  -1.359200    
 H  -0.6165000     -0.6905000       2.183100    
 H   -2.452500      0.4096000      -1.970200    
 H   -2.376100       1.899000       2.091900    
 H   -3.505800      -1.117200       1.601300    
 H   -4.103400       2.150400      -2.549500    
 H   -4.003600       3.606500       1.491800    
 H   -4.422100      -3.377700       1.155200    
 H   -4.882300       3.752500     -0.8230000    
 H   -1.211600      -4.010800      -1.613300    
 H   -3.267300      -4.868600     -0.4769000    


%chk=000004853-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004853

0 1
O -0.836919 -0.078354 1.788902
N 3.051282 0.410841 -0.358379
N -1.961561 -1.962471 -1.181170
C 3.178564 0.588674 1.126231
C 4.370788 0.278479 -1.059251
C 3.956453 -0.606580 1.730519
C 5.176294 -0.898595 -0.450879
C 5.342304 -0.780567 1.077147
C 2.131160 1.394929 -0.995614
C 0.701589 1.391335 -0.407821
C 3.773103 1.957731 1.573935
C 4.200753 0.036088 -2.575862
C 0.024678 0.010817 -0.529026
C -1.239163 -0.143995 0.362676
C -2.242369 1.003556 0.139411
C -1.939079 -1.499806 0.106966
C -2.865185 1.149719 -1.126768
C -2.536040 1.931419 1.166587
C -2.553626 -2.204631 1.172846
C -3.764363 2.212278 -1.361398
C -3.439080 2.993718 0.929743
C -3.204759 -3.426678 0.900442
C -4.055401 3.140360 -0.333523
C -2.592776 -3.146282 -1.429353
C -3.223748 -3.915270 -0.426695
H 2.149608 0.540276 1.534209
H 4.978811 1.213110 -0.931189
H 3.365462 -1.528903 1.561614
H 4.050667 -0.464547 2.824856
H 6.166402 -0.941609 -0.945544
H 4.641973 -1.839722 -0.692711
H 5.993082 0.082930 1.321106
H 5.847073 -1.679560 1.480109
H 2.052617 1.131913 -2.064745
H 2.534591 2.438646 -0.952675
H 0.110383 2.148849 -0.957060
H 0.706473 1.720110 0.648376
H 3.166128 2.800478 1.196457
H 4.809185 2.102703 1.220335
H 3.781539 2.021160 2.677881
H 5.172353 -0.266175 -3.008113
H 3.864007 0.932483 -3.124352
H 3.475486 -0.779994 -2.752593
H 0.754532 -0.778629 -0.252075
H -0.259436 -0.195892 -1.575601
H -0.076335 -0.702947 1.908857
H -2.651760 0.422751 -1.918912
H -2.053711 1.812153 2.140022
H -2.519155 -1.780763 2.179918
H -4.239542 2.314700 -2.343862
H -3.659249 3.707015 1.732638
H -3.691194 -3.986562 1.706729
H -4.754354 3.964865 -0.515354
H -2.586897 -3.480450 -2.473579
H -3.715338 -4.859503 -0.681308


