%chk=000059054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059054

0 1
 O    1.646900       1.206900     -0.6891000    
 O    3.516900       1.544600      -1.962500    
 O   -2.041900       1.061300       1.153600    
 O   -1.058800       2.059400     -0.6796000    
 N   -5.622300     -0.3507000     -0.4917000    
 C    3.689800      0.4243000      0.2041000    
 C    2.643700      0.5585000       1.303600    
 C    5.018600       1.093700      0.5658000    
 C    4.041600      -1.023000     -0.1839000    
 C    1.310300      0.5499000      0.5529000    
 C    6.051800      0.3236000     -0.2435000    
 C    5.567600      -1.111700     -0.1426000    
 C    2.989700       1.125500     -0.9432000    
 C   0.2663000       1.423300       1.257000    
 C   0.7333000     -0.8422000      0.3083000    
 C  -0.9938000       1.567900      0.4387000    
 C   0.4324000      -1.669000       1.388800    
 C   0.5086000      -1.282000     -0.9948000    
 C   -3.309000       1.126300      0.5117000    
 C   -4.367700      0.5429000       1.442000    
 C   -3.270400      0.3462000     -0.7994000    
 C   -5.723600      0.4378000      0.7448000    
 C   -4.659900      0.2476000      -1.427900    
 C  -9.4999999E-02  -2.940800       1.165500    
 C  -1.8900000E-02  -2.553900      -1.218100    
 C  -0.3207000      -3.383200     -0.1378000    
 C   -6.935200     -0.4834000      -1.122800    
 H    2.779300       1.528000       1.803100    
 H    2.732100     -0.2098000       2.078300    
 H    5.233100      0.9758000       1.635400    
 H    5.045300       2.162600      0.3303000    
 H    3.615100      -1.763100      0.5015000    
 H    3.688200      -1.269600      -1.192100    
 H    6.049900      0.6544000      -1.288200    
 H    7.064200      0.4483000      0.1513000    
 H    5.884700      -1.544600      0.8139000    
 H    5.967000      -1.742300     -0.9424000    
 H   0.6426000       2.444500       1.402400    
 H   2.6500000E-02   1.037600       2.255300    
 H   0.5995000      -1.342000       2.411200    
 H   0.7238000     -0.6627000      -1.860100    
 H   -3.554400       2.179000      0.3173000    
 H   -4.453100       1.164000       2.341900    
 H   -4.047900     -0.4471000       1.794400    
 H   -2.873300     -0.6614000     -0.6151000    
 H   -2.614500      0.7847000      -1.553600    
 H   -6.109500       1.444500      0.5362000    
 H   -6.426400     -4.3800000E-02   1.435600    
 H   -4.584900     -0.3754000      -2.327600    
 H   -4.992200       1.244200      -1.747700    
 H  -0.3308000      -3.586400       2.006500    
 H  -0.1969000      -2.897900      -2.232700    
 H  -0.7323000      -4.373100     -0.3116000    
 H   -6.870500      -1.113400      -2.016900    
 H   -7.640600     -0.9754000     -0.4438000    
 H   -7.355200      0.4864000      -1.413400    


%chk=000059054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059054

0 1
O 1.961387 1.392745 -0.953741
O 4.035381 1.741413 -1.929648
O -1.999163 1.071126 0.921023
O -1.183674 2.125670 -0.998760
N -5.895543 -0.428573 0.086607
C 3.873651 0.477412 0.226785
C 2.649350 0.518265 1.175670
C 5.178952 1.108798 0.832360
C 4.296470 -0.980215 -0.209146
C 1.407867 0.662588 0.238567
C 6.315433 0.081094 0.590237
C 5.579980 -1.279132 0.602999
C 3.371533 1.260961 -0.997185
C 0.336182 1.584351 0.884843
C 0.814970 -0.676257 -0.223847
C -0.989423 1.639195 0.136166
C 0.394711 -1.630903 0.737563
C 0.631451 -0.957354 -1.599390
C -3.376818 1.021705 0.324204
C -4.356565 0.930713 1.499186
C -3.509094 -0.193961 -0.607361
C -5.794611 0.761865 0.963318
C -4.974622 -0.329530 -1.072418
C -0.180000 -2.854319 0.331047
C 0.058407 -2.183888 -2.005869
C -0.345805 -3.137986 -1.044951
C -7.285630 -0.699911 -0.327688
H 2.711452 1.409826 1.828597
H 2.582900 -0.375674 1.816921
H 5.033541 1.263728 1.918416
H 5.400501 2.089855 0.377786
H 3.484135 -1.708702 -0.045485
H 4.541607 -0.986199 -1.287868
H 6.770177 0.247825 -0.404122
H 7.116742 0.153418 1.346818
H 5.324851 -1.566005 1.642646
H 6.172567 -2.100742 0.163138
H 0.757995 2.604713 0.927934
H 0.143655 1.232698 1.912318
H 0.502750 -1.419960 1.808742
H 0.930996 -0.209453 -2.339394
H -3.524711 1.955864 -0.253256
H -4.289139 1.837550 2.127975
H -4.094819 0.056066 2.121834
H -3.210493 -1.105308 -0.057981
H -2.845464 -0.079306 -1.482373
H -6.101588 1.696859 0.420554
H -6.492895 0.634036 1.810975
H -5.083776 -1.242094 -1.686777
H -5.238960 0.543864 -1.727388
H -0.499928 -3.582710 1.084590
H -0.073191 -2.390761 -3.073832
H -0.787885 -4.089143 -1.362020
H -7.322767 -1.632931 -0.918044
H -7.921065 -0.836205 0.565841
H -7.732861 0.118819 -0.947815


