%chk=000037798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037798

2 1
 O    1.157200     -0.1963000      0.3171000    
 O   0.1326000       1.242400      -1.167100    
 N   -3.655300     -0.1521000      0.3569000    
 N    4.880400     -8.3200000E-02  9.2000000E-02
 C   -2.456500      0.4115000     -0.3128000    
 C   -3.640700      -1.685800      0.3004000    
 C   -4.940400      0.3384000     -0.3239000    
 C   -3.705000      0.2706000       1.831500    
 C   -1.194900     -0.1374000      0.3362000    
 C    3.516900     -0.5452000      0.5852000    
 C   -3.591600      -2.130800      -1.144900    
 C   -5.019100       1.845300     -0.2132000    
 C    2.433200      0.2045000     -0.1643000    
 C   7.8199998E-02  0.4061000     -0.2760000    
 C    5.017800       1.416500      0.3110000    
 C    5.972000     -0.8108000      0.8636000    
 C    5.015200     -0.3935000      -1.391800    
 H   -2.451300       1.498400     -0.1755000    
 H   -2.495000      0.2311000      -1.391900    
 H   -4.568000      -2.034000      0.7721000    
 H   -2.811900      -2.077900      0.8959000    
 H   -5.795500     -0.1461000      0.1601000    
 H   -4.912300      7.3500000E-02  -1.383300    
 H   -3.009700     -0.3499000       2.404700    
 H   -4.718000      0.1007000       2.210100    
 H   -3.420600       1.322300       1.924000    
 H   -1.145800      0.1111000       1.400700    
 H   -1.116400      -1.221000      0.2122000    
 H    3.457500     -0.3567000       1.664000    
 H    3.438200      -1.627700      0.4278000    
 H   -2.692500      -1.816300      -1.679300    
 H   -4.474900      -1.859600      -1.726600    
 H   -3.567600      -3.227900      -1.157900    
 H   -4.230700       2.363800     -0.7646000    
 H   -5.042800       2.213500      0.8151000    
 H   -5.961200       2.174700     -0.6686000    
 H    2.457000     -1.4600000E-02  -1.235600    
 H    2.502000       1.284800     -1.2800000E-02
 H    4.724600       1.651600       1.338500    
 H    6.068000       1.684600      0.1547000    
 H    4.412200       1.963800     -0.4154000    
 H    5.853900      -1.885600      0.6974000    
 H    6.945800     -0.4733000      0.4965000    
 H    5.861500     -0.5720000       1.925500    
 H    4.746400      -1.440800      -1.558200    
 H    4.383700      0.2780000      -1.978400    
 H    6.059200     -0.2274000      -1.677300    


%chk=000037798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037798

2 1
O 1.242716 -0.232089 0.243048
O 0.035072 1.252831 -1.086262
N -3.764872 -0.186815 0.399803
N 5.037853 -0.000620 0.051156
C -2.439627 0.277753 -0.230836
C -3.933068 -1.735074 0.335394
C -4.947035 0.476708 -0.381040
C -3.838928 0.221544 1.870692
C -1.166107 -0.342647 0.379463
C 3.596150 -0.400148 0.435282
C -3.910076 -2.349932 -1.067118
C -5.046788 2.001364 -0.261162
C 2.490907 0.364370 -0.311857
C 0.051600 0.329259 -0.250267
C 5.301660 1.478514 0.351347
C 5.993018 -0.853031 0.899616
C 5.314803 -0.280121 -1.429682
H -2.407149 1.373437 -0.127550
H -2.497944 0.051814 -1.307512
H -4.893259 -1.944058 0.838784
H -3.130309 -2.156647 0.963965
H -5.859850 -0.007173 0.008854
H -4.819968 0.179085 -1.434298
H -3.152905 -0.402694 2.462125
H -4.867229 0.064363 2.230599
H -3.568693 1.281474 1.977010
H -1.103809 -0.196945 1.473434
H -1.090929 -1.429702 0.197248
H 3.496352 -0.232893 1.520989
H 3.500337 -1.481277 0.238724
H -2.964786 -2.173130 -1.608498
H -4.750971 -2.024724 -1.700142
H -4.010209 -3.443642 -0.950334
H -4.177311 2.533327 -0.681793
H -5.224564 2.348013 0.769688
H -5.923015 2.317319 -0.854884
H 2.504232 0.205744 -1.404150
H 2.488590 1.449164 -0.108262
H 5.056351 1.682524 1.404784
H 6.366638 1.689854 0.171690
H 4.690932 2.108353 -0.311330
H 5.813793 -1.917649 0.685837
H 7.029958 -0.591022 0.641377
H 5.811355 -0.646755 1.965309
H 5.082631 -1.333663 -1.647947
H 4.701155 0.383156 -2.055972
H 6.379099 -0.086219 -1.631522


