%chk=000021039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021039

0 1
 O  -0.9182000      -1.032700      0.9348000    
 O   0.7751000      1.2500000E-02  -1.135300    
 N   -4.415100      -1.332000     -0.1556000    
 C  -0.1444000     -2.0099999E-02   1.573900    
 C    1.274300     -0.5194000       1.866200    
 C  -0.1315000       1.227600      0.7366000    
 C    2.208800     -0.7906000      0.7049000    
 C   0.3688000       1.196100     -0.5691000    
 C    1.948200     -0.5187000     -0.6472000    
 C   -2.257500     -0.6094000      0.7469000    
 C   -3.025800      -1.716800      4.3499999E-02
 C  -0.5927000       2.446300       1.249400    
 C    3.455700      -1.362200       1.030300    
 C   0.3802000       2.342000      -1.366200    
 C    2.887400     -0.8513000      -1.635400    
 C  -0.5661000       3.600400      0.4632000    
 C  -8.2099997E-02   3.547500     -0.8435000    
 C    4.396400      -1.672800      4.6799999E-02
 C    4.109500      -1.420900      -1.288800    
 C   -5.166200      -2.414700     -0.7956000    
 C   -4.504700     -0.1108000     -0.9598000    
 H  -0.6136000      0.1859000       2.545900    
 H    1.184100      -1.455300       2.434300    
 H    1.772000      0.2157000       2.513600    
 H   -2.715800     -0.3886000       1.719100    
 H   -2.273800      0.2904000      0.1310000    
 H   -2.529200      -1.965600     -0.9045000    
 H   -2.967500      -2.622800      0.6608000    
 H  -0.9774000       2.507100       2.264200    
 H    3.699800      -1.576500       2.069100    
 H   0.7461000       2.300900      -2.388200    
 H    2.669500     -0.6592000      -2.683500    
 H  -0.9274000       4.540600      0.8696000    
 H  -7.0200004E-02   4.445100      -1.454700    
 H    5.347800      -2.115700      0.3260000    
 H    4.834000      -1.667400      -2.058900    
 H   -5.126000      -3.323700     -0.1849000    
 H   -4.779800      -2.651500      -1.793600    
 H   -6.224900      -2.147800     -0.8882000    
 H   -3.909000     -0.1679000      -1.878300    
 H   -4.212700      0.7765000     -0.3897000    
 H   -5.545200      7.7100001E-02  -1.252300    


%chk=000021039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021039

0 1
O -0.656226 -0.678180 0.837149
O 1.853085 1.186483 -0.896406
N -4.121105 -1.563541 -0.265120
C 0.042169 0.404506 1.562654
C 1.455103 -0.140375 1.863941
C 0.047293 1.727049 0.813202
C 2.113755 -0.787647 0.660253
C 0.893960 2.020936 -0.292138
C 2.244906 -0.141176 -0.594297
C -2.094554 -0.432329 0.648379
C -2.670251 -1.704320 0.009100
C -0.842343 2.747748 1.244745
C 2.626541 -2.105471 0.764706
C 0.829153 3.285357 -0.932246
C 2.887156 -0.771637 -1.685214
C -0.913438 4.007071 0.618299
C -0.065884 4.272945 -0.483844
C 3.268213 -2.751902 -0.312393
C 3.400726 -2.075517 -1.547318
C -4.820964 -2.863389 -0.307536
C -4.408096 -0.753075 -1.467436
H -0.485857 0.575740 2.527527
H 1.375778 -0.895777 2.665186
H 2.068586 0.693371 2.257995
H -2.589659 -0.242845 1.625130
H -2.248424 0.455757 0.002715
H -2.079998 -1.946458 -0.908889
H -2.523627 -2.540567 0.716216
H -1.492316 2.532550 2.102686
H 2.513337 -2.628693 1.721781
H 1.498778 3.463804 -1.778973
H 2.968363 -0.220713 -2.627060
H -1.613077 4.767306 0.980121
H -0.099792 5.243900 -0.989706
H 3.656290 -3.768690 -0.191384
H 3.894806 -2.558505 -2.397204
H -4.659672 -3.406569 0.640422
H -4.486872 -3.524594 -1.147793
H -5.907192 -2.694618 -0.423018
H -4.044975 -1.231390 -2.413171
H -3.934294 0.239875 -1.386417
H -5.498482 -0.599120 -1.557846


