%chk=000074303.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074303

1 1
 O    3.025800      0.4412000      0.1608000    
 O   2.4100000E-02   2.336400     -0.3642000    
 O    4.303900       2.134600       1.051200    
 N   -1.070000      0.4544000      0.3043000    
 N   -3.090400     -0.4462000     -0.1231000    
 N   0.8586000       1.105700       1.435900    
 N   -2.799900       1.858500     -0.5661000    
 N   -4.157000       2.065000      -1.034500    
 N   -5.172100       2.231500      -1.387600    
 C  -0.9955000     -0.8992000      0.6405000    
 C   -2.261300      -1.416000      0.3633000    
 C    3.741100      -1.228500      -1.412300    
 C   -2.362300      0.6451000     -0.1496000    
 C    2.616400     -0.8962000      -2.388700    
 C    4.153700     -1.2400000E-02 -0.5951000    
 C  -2.3600001E-02   1.393600      0.4131000    
 C   2.8999999E-02  -1.711500       1.152300    
 C   -2.531300      -2.776700      0.5949000    
 C    2.003900       1.945200       1.709400    
 C  -0.2558000      -3.063300       1.377200    
 C    2.236900      -2.102200      -3.232900    
 C   -1.515200      -3.589800       1.103400    
 C    3.241000       1.531100      0.9477000    
 H    4.611900      -1.610400      -1.957100    
 H    3.398800      -2.020400     -0.7348000    
 H    1.727900     -0.5526000      -1.846500    
 H    2.927000     -7.9599999E-02  -3.050900    
 H    4.961900     -0.2896000      9.1200002E-02
 H    4.500700      0.7906000      -1.255700    
 H    1.038800      -1.362000       1.327800    
 H   -3.511300      -3.193000      0.3827000    
 H    1.763900       2.980300       1.448400    
 H    2.214500       1.866900       2.779900    
 H   0.6319000      0.4148000       2.141100    
 H   0.5254000      -3.715500       1.760100    
 H    3.090400      -2.454500      -3.820900    
 H    1.888700      -2.927200      -2.603100    
 H    1.431400      -1.841100      -3.926200    
 H   -1.710300      -4.643500       1.283600    
 H   -2.176300       2.661200     -0.5549000    


%chk=000074303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074303

1 1
O 3.098005 0.653672 -0.132386
O -0.951424 2.914010 0.909046
O 4.151188 2.734696 0.093235
N -1.499023 0.650052 0.556211
N -3.611802 -0.278612 0.782072
N 0.733120 1.476110 0.352413
N -3.299481 2.131338 1.212010
N -4.525095 2.362721 1.504814
N -5.603354 2.719710 1.791997
C -1.367584 -0.751340 0.234101
C -2.689274 -1.288117 0.387855
C 4.168252 -1.490390 -0.694151
C -2.903450 0.823583 0.868855
C 3.415911 -1.758453 -2.018569
C 4.432162 -0.016881 -0.402360
C -0.560437 1.670478 0.601375
C -0.287405 -1.556880 -0.167917
C -2.952036 -2.649535 0.150555
C 1.730186 2.568931 0.394100
C -0.566911 -2.924933 -0.405267
C 3.195876 -3.265405 -2.270554
C -1.870075 -3.464144 -0.248056
C 3.132233 2.025693 0.105369
H 5.156987 -1.990093 -0.731742
H 3.629057 -1.947339 0.159790
H 2.440417 -1.230818 -2.012348
H 3.992362 -1.324507 -2.859168
H 5.051718 0.139257 0.497556
H 4.893643 0.513308 -1.253866
H 0.737650 -1.206488 -0.318073
H -3.963329 -3.045609 0.271809
H 1.487284 3.348351 -0.350235
H 1.733144 3.057859 1.384587
H 1.131818 0.554281 0.131631
H 0.249438 -3.580346 -0.724123
H 4.160360 -3.799798 -2.344794
H 2.625186 -3.733770 -1.444855
H 2.643750 -3.439985 -3.210684
H -2.036721 -4.527467 -0.442845
H -1.987041 2.951563 1.107212


