%chk=000129773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129773

0 1
 O    1.821500       3.138400      0.6755000    
 O    2.241200      -1.676200      0.8581000    
 O    2.688200      -1.676500      -1.405400    
 N  -0.2073000     -2.8000001E-02 -0.9674000    
 C    1.994700       1.259700     -0.9175000    
 C   0.5639000       1.024500     -0.5713000    
 C  -0.1944000       1.855100      0.2229000    
 C    2.292700       2.753000     -0.6312000    
 C   -1.490700       1.283500      0.3226000    
 C   -1.472100      0.1029000     -0.4310000    
 C   0.3796000       3.106600      0.7818000    
 C    2.901900      0.3535000     -8.4299996E-02
 C   -2.592200     -0.7268000     -0.5570000    
 C   -2.684100       1.651500      0.9755000    
 C   -2.578800      -1.986600      -1.357100    
 C   -3.762700     -0.3409000      0.1020000    
 C    2.609100      -1.104600     -0.3270000    
 C   -3.810400      0.8295000      0.8563000    
 C   -2.167900      -3.197700     -0.5245000    
 C    1.926500      -3.071200      0.7979000    
 C    1.541200      -3.549800       2.181300    
 H    2.159700       1.063000      -1.984100    
 H    3.370600       2.943200     -0.6685000    
 H    1.819100       3.401000      -1.380000    
 H   9.7099997E-02 -0.7884000      -1.559800    
 H  -2.1800000E-02   3.979400      0.2549000    
 H   0.1306000       3.205500       1.842900    
 H    2.796100      0.5754000      0.9857000    
 H    3.956500      0.5221000     -0.3318000    
 H   -2.736700       2.560900       1.567200    
 H   -3.568600      -2.164600      -1.795500    
 H   -1.893600      -1.884800      -2.207100    
 H   -4.657100     -0.9565000      3.3500001E-02
 H   -4.732400       1.108700       1.359400    
 H   -1.181200      -3.054300     -7.6099999E-02
 H   -2.133900      -4.094600      -1.150700    
 H   -2.880500      -3.376800      0.2878000    
 H    1.100100      -3.231700      9.9100001E-02
 H    2.805000      -3.625800      0.4492000    
 H    1.298400      -4.616100       2.172600    
 H    2.357500      -3.378000       2.890500    
 H   0.6745000      -2.993000       2.552800    


%chk=000129773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129773

0 1
O 1.617993 3.090299 0.843989
O 2.998705 -2.169840 1.147393
O 1.527363 -1.922719 -0.629587
N -0.560803 -0.015483 -0.874784
C 1.791574 1.002598 -0.535177
C 0.286305 1.007971 -0.431888
C -0.478954 2.050136 0.091683
C 2.241000 2.479039 -0.340623
C -1.870305 1.663464 -0.023084
C -1.888626 0.351451 -0.625780
C 0.161599 3.291118 0.654506
C 2.484670 0.076686 0.500359
C -3.086801 -0.361246 -0.888897
C -3.102003 2.282625 0.320861
C -3.070676 -1.756218 -1.496423
C -4.287496 0.291568 -0.531759
C 2.259627 -1.405768 0.255318
C -4.298899 1.588035 0.063135
C -2.623643 -2.856590 -0.494281
C 2.859176 -3.658938 1.033300
C 3.775456 -4.266422 2.089441
H 2.102498 0.683106 -1.551494
H 3.326816 2.548303 -0.155608
H 1.985783 3.065586 -1.249377
H -0.201413 -0.923187 -1.179827
H 0.001674 4.173897 -0.005268
H -0.218835 3.540303 1.661138
H 2.138841 0.329774 1.520138
H 3.579084 0.248386 0.499043
H -3.123934 3.279606 0.775524
H -4.082715 -2.001745 -1.868689
H -2.399354 -1.779057 -2.379506
H -5.240461 -0.218033 -0.721905
H -5.260410 2.047910 0.318586
H -1.602069 -2.670985 -0.114735
H -2.630727 -3.852036 -0.975746
H -3.302745 -2.888034 0.376430
H 1.796411 -3.916429 1.192287
H 3.136405 -3.953868 0.005348
H 3.705732 -5.368840 2.053684
H 4.825999 -3.978990 1.913709
H 3.487455 -3.932933 3.100767


