%chk=000045992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045992

1 1
 O    1.280800      0.3206000      0.7526000    
 O    1.186100       1.964300     -0.8893000    
 N   0.6686000      -2.299900     -0.1290000    
 N    3.122500       1.623100      0.3420000    
 C  -0.4074000      -1.224300      3.8600001E-02
 C   5.5000000E-03  -3.585700     -0.6144000    
 C    1.358300      -2.518200       1.214800    
 C    1.732200      -1.898700      -1.149100    
 C  -1.2100000E-02 -1.0000000E-03  0.4658000    
 C   -1.678100      -1.593800     -0.2587000    
 C   -2.332400      0.6573000      0.3255000    
 C   -1.003700      0.9687000      0.6137000    
 C   -2.669500     -0.6239000     -0.1107000    
 C   -3.392600       1.694100      0.4832000    
 C   -3.610000       2.501500     -0.7939000    
 C    1.815000       1.370300     -1.8400000E-02
 C    3.936800       2.645500     -0.2727000    
 H  -0.4288000      -3.436200      -1.608900    
 H   0.7957000      -4.340200     -0.7123000    
 H  -0.6950000      -3.956600      0.1419000    
 H   0.5924000      -2.645400       1.986900    
 H    1.948300      -3.437900       1.137100    
 H    2.037900      -1.700600       1.458600    
 H    2.403600      -1.145100     -0.7386000    
 H    2.325200      -2.787600      -1.389200    
 H    1.229300      -1.533600      -2.049900    
 H   -2.037100      -2.552300     -0.6030000    
 H  -0.7492000       1.964200      0.9705000    
 H   -3.701600     -0.8766000     -0.3402000    
 H   -4.337300       1.221300      0.7798000    
 H   -3.132600       2.374400       1.303900    
 H   -2.694400       3.022900      -1.093200    
 H   -4.393000       3.250300     -0.6387000    
 H   -3.916100       1.855400      -1.623600    
 H    3.536700       1.054900       1.074600    
 H    4.768300       2.156000     -0.7855000    
 H    4.328600       3.290800      0.5172000    
 H    3.359900       3.239200     -0.9856000    


%chk=000045992-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045992

1 1
O 1.404971 0.242366 0.496781
O 1.450737 1.934028 -1.197807
N 0.635371 -2.460825 -0.203338
N 3.077562 1.812754 0.509836
C -0.394883 -1.357050 0.013602
C -0.012179 -3.809293 -0.521848
C 1.482425 -2.652027 1.067467
C 1.540394 -2.099257 -1.395403
C 0.025238 -0.030462 0.309885
C -1.776954 -1.630424 -0.083565
C -2.317294 0.729389 0.366948
C -0.931451 0.988177 0.483140
C -2.722598 -0.600358 0.089028
C -3.329872 1.853162 0.492554
C -3.589385 2.547721 -0.874195
C 1.959349 1.447964 -0.171942
C 3.939920 2.922844 0.066204
H -0.605832 -3.728174 -1.443500
H 0.796866 -4.540550 -0.668841
H -0.643563 -4.126364 0.320311
H 0.808477 -2.933270 1.890235
H 2.217044 -3.451255 0.881301
H 1.986628 -1.705297 1.296443
H 2.073422 -1.169301 -1.167318
H 2.253991 -2.922789 -1.555279
H 0.904236 -1.960536 -2.281661
H -2.146668 -2.635820 -0.294172
H -0.584977 2.002366 0.706414
H -3.788545 -0.836594 0.007441
H -4.284164 1.457239 0.885741
H -2.970462 2.607039 1.217128
H -2.659270 2.977774 -1.286306
H -4.322063 3.364255 -0.753537
H -3.991273 1.834121 -1.615465
H 3.295372 1.318532 1.376604
H 4.955190 2.560294 -0.170800
H 4.005006 3.698277 0.848549
H 3.500036 3.368544 -0.838836


