%chk=000017962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017962

1 1
 O  -0.5683000     -0.2365000       1.050000    
 O    1.430800       1.531200      0.5239000    
 O    3.899200      0.5541000     -0.5999000    
 N   -3.996700      0.2869000     -0.2443000    
 C   -2.764600      0.5895000      0.5267000    
 C   -4.576100      -1.073500      0.1667000    
 C   -5.069200       1.356800      1.6000000E-03
 C   -3.700700      0.2447000      -1.749700    
 C   -1.741400     -0.5024000      0.2837000    
 C   0.6156000     -0.6830000      0.5447000    
 C    1.654300      0.2046000      0.2626000    
 C    2.854700     -0.2701000     -0.2718000    
 C    2.645900       2.285700      0.5304000    
 C   0.7899000      -2.048700      0.3198000    
 C    3.495000       1.924100     -0.6726000    
 C    3.033000      -1.637500     -0.4835000    
 C    1.998600      -2.525800     -0.1884000    
 H   -2.379900       1.568400      0.2155000    
 H   -3.020000      0.6584000       1.591300    
 H   -5.576500      -1.161000     -0.2694000    
 H   -3.953700      -1.880900     -0.2265000    
 H   -4.638600      -1.108000       1.258200    
 H   -5.959500       1.105400     -0.5822000    
 H   -5.300500       1.366000       1.070800    
 H   -4.663100       2.322600     -0.3130000    
 H   -3.152800       1.152000      -2.020000    
 H   -3.131200     -0.6547000      -1.995100    
 H   -4.656700      0.2101000      -2.282000    
 H   -2.098500      -1.482600      0.6096000    
 H   -1.461200     -0.5591000     -0.7730000    
 H    3.174400       2.090400       1.471700    
 H    2.378800       3.346700      0.5022000    
 H  -2.4000001E-03  -2.756600      0.5477000    
 H    2.951000       2.079500      -1.612600    
 H    4.400900       2.537700     -0.6966000    
 H    3.968000      -2.016700     -0.8868000    
 H    2.133600      -3.590300     -0.3567000    


%chk=000017962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017962

1 1
O -0.649332 -0.553001 1.188461
O 0.977126 1.067689 -0.504419
O 3.751618 0.251932 -0.946338
N -4.018029 0.436671 -0.172855
C -2.874247 -0.049233 0.744296
C -4.286922 -0.579046 -1.282522
C -5.276733 0.584158 0.685462
C -3.679482 1.794401 -0.789044
C -1.535187 -0.322711 0.039608
C 0.696225 -0.922806 0.888839
C 1.521015 -0.115518 0.065469
C 2.875556 -0.498653 -0.137758
C 2.033724 2.019363 -0.940584
C 1.209832 -2.070860 1.520678
C 3.082243 1.278887 -1.772753
C 3.398528 -1.642188 0.502094
C 2.567825 -2.419198 1.333707
H -2.715450 0.731567 1.507724
H -3.229721 -0.964016 1.247892
H -5.169700 -0.256812 -1.856009
H -3.412834 -0.633629 -1.946737
H -4.473582 -1.563945 -0.828138
H -6.100819 0.956275 0.057705
H -5.540974 -0.397015 1.108068
H -5.074290 1.296634 1.499506
H -3.448516 2.505524 0.018507
H -2.808868 1.690292 -1.451008
H -4.546893 2.148855 -1.366786
H -1.570748 -1.227769 -0.599439
H -1.167756 0.535642 -0.552962
H 2.493866 2.475674 -0.044536
H 1.514050 2.789248 -1.532115
H 0.549288 -2.661903 2.161098
H 2.614328 0.792006 -2.650013
H 3.884337 1.954921 -2.107956
H 4.447646 -1.900527 0.333644
H 2.974976 -3.303509 1.832216


