%chk=000052510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052510

1 1
 O  -8.2000000E-03   1.818400      -1.752900    
 N    2.368500      0.9220000     -0.3656000    
 N   -3.986000       1.025900       1.082100    
 C   0.9406000      0.8949000      0.2459000    
 C    2.224000     -0.9565000       1.408000    
 C    2.738000     -0.4274000      -1.007500    
 C   0.8692000     -0.2483000       1.274700    
 C    2.581500      -1.551900      2.9500000E-02
 C    3.371800       1.196100      0.7772000    
 C    3.264200      9.0099998E-02   1.824100    
 C    2.517300       2.034900      -1.398400    
 C  -0.1571000      0.7704000     -0.8098000    
 C    3.803300      -2.421500      7.9800002E-02
 C    2.190900       3.362800     -0.7507000    
 C   -1.509900      0.8261000     -0.1590000    
 C    3.807900      -3.724000     -0.2230000    
 C   -2.420900     -0.2309000     -0.2515000    
 C   -1.830900       1.973600      0.5467000    
 C   -3.666700     -8.6800002E-02  0.3944000    
 C   -2.120700      -1.406500     -0.9603000    
 C   -3.073900       2.023000       1.144600    
 C   -4.576100      -1.137200      0.3050000    
 C   -3.048700      -2.441200      -1.033300    
 C   -4.277900      -2.306100     -0.3999000    
 H   0.8506000       1.827900      0.8103000    
 H    2.156900      -1.743800       2.168100    
 H    3.765400     -0.3323000      -1.380800    
 H    2.083100     -0.5831000      -1.871100    
 H   0.1148000     -0.9984000       1.014600    
 H   0.5642000      0.1567000       2.248400    
 H    1.734800      -2.175300     -0.2930000    
 H    3.131300       2.147800       1.256200    
 H    4.377100       1.243800      0.3438000    
 H    4.247000     -0.3668000       1.985000    
 H    2.983600      0.5283000       2.790500    
 H    3.578300       2.046400      -1.683400    
 H    1.996200       1.790900      -2.325000    
 H   1.3100000E-02 -0.1370000      -1.379900    
 H    4.747800      -1.962900      0.3610000    
 H    2.234000       4.129900      -1.535000    
 H    1.195100       3.456400     -0.3175000    
 H    2.932800       3.684400     -1.5400000E-02
 H  -0.8102000       1.849700      -2.301800    
 H    4.728600      -4.295400     -0.1758000    
 H    2.903000      -4.242200     -0.5205000    
 H   -1.161800       2.822200      0.6279000    
 H   -1.185000      -1.586200      -1.474300    
 H   -3.386000       2.896500       1.707600    
 H   -5.545800      -1.056200      0.7926000    
 H   -2.814000      -3.349200      -1.580600    
 H   -5.007900      -3.108600     -0.4514000    


%chk=000052510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052510

1 1
O 0.077221 1.791396 -1.908702
N 2.445005 1.081137 -0.246923
N -4.143932 1.016995 0.798425
C 0.954732 1.001521 0.238541
C 2.169171 -0.971127 1.353475
C 2.842423 -0.231800 -0.951267
C 0.884304 -0.105536 1.347254
C 2.437214 -1.474202 -0.100789
C 3.325193 1.228237 1.021415
C 3.347241 -0.091705 1.831405
C 2.766154 2.260294 -1.208250
C -0.085659 0.739860 -0.888310
C 3.499083 -2.553799 -0.193780
C 2.493433 3.657983 -0.646433
C -1.500659 0.776495 -0.302126
C 3.280370 -3.803442 -0.668503
C -2.343891 -0.393124 -0.218969
C -2.007936 2.005493 0.143078
C -3.672754 -0.210699 0.349651
C -1.974307 -1.709164 -0.658766
C -3.328138 2.080233 0.684844
C -4.558931 -1.329113 0.462063
C -2.863879 -2.780464 -0.541929
C -4.163571 -2.594021 0.025877
H 0.750014 1.998915 0.661417
H 2.035584 -1.836128 2.023179
H 3.936719 -0.181956 -1.089922
H 2.374921 -0.228114 -1.948741
H 0.003891 -0.745064 1.171728
H 0.739889 0.362880 2.336457
H 1.490947 -1.897474 -0.490391
H 2.898351 2.061296 1.601105
H 4.327858 1.525600 0.671753
H 4.310061 -0.615482 1.709213
H 3.240392 0.137276 2.905194
H 3.836703 2.134306 -1.453767
H 2.156432 2.094159 -2.106826
H 0.106690 -0.246370 -1.351884
H 4.507344 -2.284675 0.157551
H 2.797730 4.387235 -1.418217
H 1.420542 3.825894 -0.460492
H 3.070786 3.894579 0.263050
H -0.741541 1.835492 -2.465213
H 4.080065 -4.550411 -0.701830
H 2.296450 -4.122986 -1.034853
H -1.410594 2.920176 0.064445
H -0.993385 -1.891308 -1.112486
H -3.726345 3.038637 1.036360
H -5.546004 -1.144011 0.895278
H -2.568381 -3.774872 -0.892887
H -4.845808 -3.445643 0.110098


