%chk=000081798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081798

0 1
 O   -3.197500      3.8000001E-03 -0.2943000    
 O  -0.7328000      -2.440100      0.1688000    
 O  -0.6991000       2.444900      0.1662000    
 O    4.011100      4.4999998E-03  0.2301000    
 N   0.4693000     -5.0000002E-04 -0.7313000    
 C  -0.7849000      2.4000001E-03  3.9099999E-02
 C   -1.947400      1.1500000E-02 -0.9741000    
 C  -0.8230000      -1.249500      0.9422000    
 C  -0.8024000       1.255300      0.9401000    
 C    1.612300     -8.9999996E-03  0.1628000    
 C    2.894200     -2.3200000E-02 -0.6495000    
 H   0.4995000     -0.8230000      -1.334000    
 H   -1.914100      0.9071000      -1.605400    
 H   -1.915800     -0.8592000      -1.638500    
 H   -1.774800      -1.290900       1.486700    
 H  -5.7100002E-02  -1.273300       1.722000    
 H  -4.6799999E-02   1.269400       1.730900    
 H   -1.762300       1.312600       1.467300    
 H    1.658500     -0.8872000      0.8121000    
 H    1.676000      0.8753000      0.8026000    
 H    2.960600      0.8553000      -1.300100    
 H    2.970500     -0.9191000      -1.275300    
 H   -3.892200      1.4000000E-02 -0.9746000    
 H   -1.574900      -2.553900     -0.3026000    
 H   0.1346000       2.397300     -0.3315000    
 H    3.972500     -0.7968000      0.7796000    


%chk=000081798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081798

0 1
O -3.123498 -0.535943 -0.435988
O -1.293690 -2.462893 0.349283
O -0.441746 2.422136 0.056774
O 4.240429 0.049086 0.119030
N 0.526455 -0.006442 -0.590618
C -0.794284 -0.016543 0.116628
C -1.860041 -0.027633 -1.012165
C -1.015013 -1.219117 1.075612
C -0.900962 1.323733 0.902943
C 1.759108 -0.137117 0.224572
C 2.993053 0.183527 -0.642531
H 0.527082 -0.685779 -1.363922
H -1.981395 0.999814 -1.403623
H -1.537370 -0.700922 -1.833061
H -1.840688 -0.979404 1.774930
H -0.103207 -1.415993 1.663592
H -0.309356 1.275013 1.842924
H -1.955671 1.515986 1.166298
H 1.879364 -1.154762 0.665528
H 1.722516 0.581491 1.062026
H 2.969623 1.235187 -0.968561
H 3.004664 -0.463872 -1.548017
H -3.882412 -0.289630 -1.018376
H -2.214923 -2.353012 -0.013271
H 0.221545 1.983056 -0.560764
H 4.344417 -0.892266 0.410056


