%chk=000072809.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072809

0 1
 O   -1.626200       2.742400     -0.3499000    
 O   -1.609200      -2.694600      0.4075000    
 N   -2.619000      0.6765000     -0.1810000    
 N   -2.607200     -0.6251000      0.3002000    
 N   0.3264000      2.4499999E-02  8.9999998E-04
 C   -3.983400       1.033400     -0.5561000    
 C   -3.962800     -0.9643000      0.7066000    
 C   -4.807900     -0.2175000     -0.3077000    
 C   -1.586700       1.566200      1.7100001E-02
 C   -1.586600      -1.515000      5.0099999E-02
 C  -0.3843000       1.037500      0.7775000    
 C  -0.4164000     -0.9804000     -0.7558000    
 C    1.721800      8.2999999E-03 -6.0999999E-03
 C    2.457100      0.4606000       1.106900    
 C    2.435100     -0.4600000      -1.126500    
 C    3.852000      0.4453000       1.099500    
 C    3.829800     -0.4755000      -1.133900    
 C    4.538200     -2.2800000E-02 -2.0900000E-02
 C    6.029500     -3.9400000E-02 -2.8500000E-02
 H   -4.004800       1.359000      -1.600300    
 H   -4.305900       1.867600      7.6700002E-02
 H   -4.117400     -0.5888000       1.723900    
 H   -4.132400      -2.044100      0.6833000    
 H   -5.822500     -6.8999999E-03  4.0199999E-02
 H   -4.877700     -0.8003000      -1.234300    
 H   0.2473000       1.911700      0.9802000    
 H  -0.7018000      0.6345000       1.746300    
 H   0.2030000      -1.853900     -0.9953000    
 H  -0.7733000     -0.5674000      -1.706400    
 H    1.957800      0.8100000       2.007500    
 H    1.918800     -0.7975000      -2.022000    
 H    4.392900      0.7939000       1.975300    
 H    4.353600     -0.8391000      -2.014100    
 H    6.436800      0.7715000      0.5848000    
 H    6.396500     -0.9935000      0.3627000    
 H    6.421100      9.8300003E-02  -1.042200    


%chk=000072809-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072809

0 1
O -1.799679 2.831752 -0.201955
O -1.699633 -2.782044 0.202761
N -2.660868 0.691515 -0.163817
N -2.622470 -0.658652 0.302139
N 0.328294 0.057433 -0.035710
C -4.047620 1.062302 -0.565524
C -3.987887 -1.036545 0.726308
C -4.877551 -0.218375 -0.254131
C -1.654759 1.611882 0.107016
C -1.619160 -1.551634 -0.080054
C -0.402828 1.035857 0.791638
C -0.438400 -0.914266 -0.836740
C 1.745223 0.028358 -0.025792
C 2.488361 0.584144 1.057596
C 2.480955 -0.548414 -1.103487
C 3.897714 0.562232 1.051618
C 3.889490 -0.576052 -1.081693
C 4.633638 -0.024161 -0.008325
C 6.151574 -0.080993 0.014890
H -4.082022 1.341163 -1.631839
H -4.358740 1.941446 0.025248
H -4.157651 -0.740293 1.777358
H -4.096033 -2.127865 0.635270
H -5.856501 0.029225 0.185638
H -5.047488 -0.799134 -1.176232
H 0.250104 1.901059 0.982264
H -0.709472 0.605118 1.772777
H 0.219129 -1.753687 -1.105919
H -0.830081 -0.460999 -1.775319
H 1.971459 1.011346 1.922753
H 1.959479 -0.943110 -1.981534
H 4.436304 0.999617 1.901824
H 4.422251 -1.022677 -1.930854
H 6.580274 0.767797 0.577089
H 6.514161 -1.010284 0.497239
H 6.572632 -0.057962 -1.006302


