%chk=000028831.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028831

0 1
 N   0.5800000     -0.1564000     -0.5974000    
 N    5.096800      0.7936000       1.108600    
 C  -0.3690000      0.8315000     -0.5667000    
 C   -1.575100      0.2559000     -0.2114000    
 C  -4.4100001E-02   2.250100     -0.8801000    
 C   -2.868900      0.9855000     -6.6500001E-02
 C  -0.5003000       3.205400      0.2232000    
 C   -2.784800       2.184000      0.8809000    
 C   -2.019500       3.386000      0.3162000    
 C   -1.334100      -1.143000     -2.0700000E-02
 C   2.1199999E-02  -1.368200     -0.2683000    
 C    1.979500      2.2800000E-02 -0.9312000    
 C    2.830400      0.3283000      0.3012000    
 C   -2.141100      -2.243200      0.3400000    
 C   0.6102000      -2.634500     -0.1734000    
 C   -1.566600      -3.515600      0.4392000    
 C  -0.2108000      -3.706000      0.1859000    
 C    4.296400      0.5240000     -7.9700001E-02
 H    1.027100       2.418200      -1.013000    
 H  -0.5170000       2.524200      -1.831300    
 H   -3.215200       1.310100      -1.055500    
 H   -3.633100      0.3002000      0.3190000    
 H  -0.1020000       2.888500       1.195300    
 H  -6.4199999E-02   4.190700      1.3600000E-02
 H   -3.809900       2.515100       1.090600    
 H   -2.350300       1.883700       1.842500    
 H   -2.425600       3.662600     -0.6643000    
 H   -2.209900       4.239100      0.9799000    
 H    2.332100     -0.8932000      -1.418900    
 H    2.069900      0.8011000      -1.694700    
 H    2.453100       1.229700      0.8009000    
 H    2.738700     -0.4916000       1.025300    
 H   -3.200800      -2.114800      0.5415000    
 H    1.665800      -2.796600     -0.3624000    
 H   -2.187100      -4.363300      0.7175000    
 H   0.2164000      -4.702000      0.2698000    
 H    4.395300       1.363600     -0.7760000    
 H    4.681000     -0.3719000     -0.5794000    
 H    6.078200      0.8704000      0.8448000    
 H    5.034700      4.8000002E-03   1.751000    


%chk=000028831-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028831

0 1
N 0.619561 -0.193370 -0.673801
N 5.161951 0.844157 1.132800
C -0.367362 0.822419 -0.594158
C -1.587560 0.251538 -0.211917
C -0.075074 2.270709 -0.899266
C -2.897431 0.982944 -0.023771
C -0.522176 3.254510 0.218637
C -2.828928 2.208381 0.926860
C -2.054876 3.427641 0.365757
C -1.356680 -1.167876 -0.032480
C 0.032967 -1.417951 -0.320616
C 2.046243 -0.016093 -0.975826
C 2.891866 0.365605 0.262543
C -2.186807 -2.257357 0.343427
C 0.597497 -2.710669 -0.236539
C -1.629620 -3.548755 0.426117
C -0.250691 -3.773537 0.138799
C 4.397664 0.441326 -0.062727
H 1.006403 2.413388 -1.078933
H -0.585283 2.564048 -1.841648
H -3.296964 1.325687 -1.003003
H -3.645069 0.270031 0.374048
H -0.091847 2.926473 1.185653
H -0.082978 4.247104 -0.008336
H -3.865638 2.533919 1.149274
H -2.377462 1.895374 1.889409
H -2.481969 3.700868 -0.622998
H -2.239728 4.294383 1.032174
H 2.421614 -0.962391 -1.408549
H 2.161179 0.752354 -1.762751
H 2.566583 1.342873 0.664706
H 2.717686 -0.385142 1.059451
H -3.248420 -2.099013 0.566374
H 1.656142 -2.896160 -0.450392
H -2.261030 -4.396497 0.715709
H 0.156550 -4.788409 0.212225
H 4.562913 1.206890 -0.846623
H 4.718727 -0.538323 -0.500106
H 6.145627 1.068217 0.956585
H 5.049822 0.209502 1.929895


