%chk=000040988.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040988

0 1
 O   -5.082900      -2.356500      -1.697000    
 O    8.094600       1.715700     -0.3061000    
 O    3.491400     -0.4530000      -1.290800    
 N   -3.412400      -1.578800     -0.3674000    
 N    6.083200     -0.2975000     -0.3589000    
 N    2.796000      -1.219500      0.8216000    
 C   -5.529700     -0.2961000     -0.4809000    
 C   -2.874300     -0.6645000      0.6356000    
 C   -4.678200      0.9289000     -0.1266000    
 C   -3.387800      0.7491000      0.4233000    
 C   -4.667600      -1.491900     -0.9226000    
 C   -6.538500     -1.5400000E-02  -1.619000    
 C   -6.322200     -0.7295000      0.7683000    
 C   -1.361500     -0.8131000      0.6851000    
 C   -5.173200       2.239300     -0.2643000    
 C   -2.652800       1.873500      0.8426000    
 C   -4.415900       3.344500      0.1246000    
 C   -3.157900       3.161700      0.6812000    
 C  -0.7526000      -1.315800       1.831500    
 C  -0.5937000     -0.4447000     -0.4163000    
 C    5.764700       1.098800     -2.9700000E-02
 C    7.466800     -0.6036000      3.0600000E-02
 C    5.146600      -1.210800      0.2926000    
 C    6.761900       2.031500     -0.7109000    
 C    8.424200      0.3697000     -0.6511000    
 C    1.408300      -1.083800      0.7758000    
 C   0.6349000      -1.451300       1.877100    
 C   0.7939000     -0.5803000     -0.3710000    
 C    3.734600     -0.9064000     -0.1771000    
 H   -3.291200      -1.004300       1.593000    
 H   -2.861000      -2.396400     -0.6128000    
 H   -6.027700      0.3539000      -2.516200    
 H   -7.088400     -0.9198000      -1.906000    
 H   -7.296200      0.7210000      -1.330500    
 H   -5.664900     -0.9823000       1.607600    
 H   -6.996200      6.4999998E-02   1.109400    
 H   -6.930100      -1.618200      0.5608000    
 H   -6.165900       2.428700     -0.6610000    
 H   -1.678600       1.765300       1.311700    
 H   -4.819000       4.346300      8.1000002E-03
 H   -2.574200       4.019000       1.002800    
 H   -1.341800      -1.605900       2.696900    
 H   -1.058300     -5.4200001E-02  -1.318000    
 H    5.815400       1.249800       1.057100    
 H    4.765700       1.398100     -0.3595000    
 H    7.727600      -1.625900     -0.2660000    
 H    7.582100     -0.5253000       1.119600    
 H    5.359600      -2.247900      7.1000000E-03
 H    5.216300      -1.135600       1.384700    
 H    6.687400       1.976000      -1.803800    
 H    6.563800       3.067500     -0.4176000    
 H    9.448900      0.1816000     -0.3148000    
 H    8.407300      0.2568000      -1.742100    
 H    1.100100      -1.844800       2.777300    
 H    1.323300     -0.2746000      -1.262400    
 H    3.159900      -1.599300       1.692800    


%chk=000040988-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040988

0 1
O -4.988079 -2.229722 -2.107295
O 8.632712 1.325440 -0.778635
O 3.527816 -0.106749 -1.100961
N -3.456622 -1.533766 -0.526583
N 6.248904 -0.208014 -0.190593
N 2.781206 -0.856933 0.996064
C -5.646505 -0.348528 -0.630059
C -3.007076 -0.727355 0.631271
C -4.869516 0.864421 -0.087048
C -3.605510 0.684198 0.540466
C -4.677268 -1.435857 -1.167583
C -6.643794 0.015742 -1.755142
C -6.437503 -1.011623 0.552052
C -1.481477 -0.758108 0.708635
C -5.419873 2.169395 -0.137076
C -2.932836 1.788155 1.113955
C -4.746278 3.270861 0.434157
C -3.498331 3.080292 1.067466
C -0.827262 -1.169838 1.892999
C -0.687094 -0.371117 -0.400015
C 6.233454 1.275202 -0.131794
C 7.597368 -0.749152 0.106767
C 5.193188 -0.846743 0.589666
C 7.288359 1.841195 -1.094820
C 8.624799 -0.143065 -0.864607
C 1.366117 -0.805785 0.854012
C 0.579083 -1.193488 1.971140
C 0.719627 -0.391106 -0.343858
C 3.770173 -0.549200 0.054513
H -3.390403 -1.191099 1.570118
H -2.852440 -2.302747 -0.829848
H -6.160894 0.619846 -2.543248
H -7.012263 -0.912000 -2.221672
H -7.506732 0.577208 -1.355314
H -5.767808 -1.336246 1.368959
H -7.157698 -0.286029 0.970344
H -6.991515 -1.893548 0.184308
H -6.383735 2.330950 -0.628852
H -1.956318 1.637613 1.586479
H -5.192118 4.270395 0.381510
H -2.966306 3.928702 1.511524
H -1.420656 -1.477393 2.762697
H -1.180190 -0.044314 -1.322631
H 6.445889 1.642474 0.904856
H 5.235724 1.633195 -0.439501
H 7.581726 -1.849440 -0.016527
H 7.915019 -0.521835 1.156752
H 5.340380 -1.944965 0.536911
H 5.225639 -0.574856 1.682799
H 7.017278 1.568646 -2.136494
H 7.363829 2.936910 -1.002302
H 9.648802 -0.461776 -0.608241
H 8.381754 -0.457778 -1.902095
H 1.066679 -1.518870 2.899243
H 1.324451 -0.091488 -1.201129
H 3.117921 -1.165612 1.912658


