%chk=000005902.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005902

0 1
 O   -2.164200     -0.1104000     -9.7499996E-02
 O   -2.136300       2.125500      0.4589000    
 N    3.530800      -2.160600     -7.9899997E-02
 N   0.5257000     -2.4400000E-02  0.4483000    
 C    2.355500      -1.635800      0.6067000    
 C    1.706900     -0.5352000     -0.2274000    
 C  -0.1068000       1.032300     -0.3460000    
 C   -5.531100      -1.798800      0.2944000    
 C   -4.036600      -1.600600     -6.2000002E-03
 C    3.135500      -3.087400      -1.141700    
 C    4.426500      -2.825800      0.8676000    
 C   0.6129000       2.353800     -0.1814000    
 C   -3.546600     -0.1770000      0.2303000    
 C   -1.568600       1.115300      6.2899999E-02
 C   -6.367400     -0.8809000     -0.6003000    
 C   -5.975900      -3.249700      0.1054000    
 C    4.346000      -3.592300      -1.908600    
 C    3.751400      -4.024600       1.512300    
 C   0.6452000       3.266500      -1.235900    
 C    1.243600       2.659200       1.024800    
 C    1.308200       4.484200      -1.084400    
 C    1.906500       3.877200       1.176200    
 C    1.938800       4.789600      0.1216000    
 H    1.617900      -2.419500      0.8246000    
 H    2.642800      -1.189200       1.568800    
 H    2.441200      0.2631000     -0.3911000    
 H    1.412200     -0.9173000      -1.210400    
 H  -0.1156000      0.7605000      -1.411200    
 H  -0.1300000     -0.7969000      0.5706000    
 H   -5.719100      -1.524900       1.340400    
 H   -3.817300      -1.889700      -1.042700    
 H   -3.444000      -2.284700      0.6153000    
 H    2.519800      -3.926200     -0.7981000    
 H    2.521900      -2.557400      -1.878500    
 H    5.373900      -3.118500      0.4029000    
 H    4.718200      -2.114100       1.651000    
 H   -3.689400      9.9399999E-02   1.281300    
 H   -4.081500      0.5334000     -0.4073000    
 H   -6.118000      -1.015700      -1.658200    
 H   -6.229400      0.1732000     -0.3426000    
 H   -7.435500      -1.094200     -0.4796000    
 H   -5.832600      -3.576200     -0.9302000    
 H   -7.034600      -3.370900      0.3575000    
 H   -5.398500      -3.917100      0.7537000    
 H    5.011400      -2.772600      -2.200800    
 H    4.922300      -4.332700      -1.345700    
 H    4.016200      -4.086400      -2.829500    
 H    2.826900      -3.776500       2.040900    
 H    3.555000      -4.841200      0.8122000    
 H    4.428700      -4.437900       2.269800    
 H   0.1561000       3.041500      -2.179900    
 H    1.222100       1.980300       1.872600    
 H    1.332800       5.195100      -1.905200    
 H    2.394000       4.117300       2.116600    
 H    2.453900       5.738300      0.2401000    


%chk=000005902-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005902

0 1
O -2.165185 0.023670 -0.368669
O -2.162064 2.000027 -1.596233
N 3.574447 -2.407842 -0.247849
N 0.469136 -0.233730 -0.303442
C 2.262380 -1.871021 0.182384
C 1.833043 -0.654726 -0.666888
C 0.000668 1.003598 -0.932177
C -5.662866 -1.290125 0.540708
C -4.124885 -1.234663 0.326076
C 3.471080 -3.349960 -1.389376
C 4.448270 -2.850201 0.866798
C 0.536522 2.267973 -0.221002
C -3.662978 0.037170 -0.385493
C -1.536760 1.089537 -1.009041
C -6.444661 -1.276694 -0.796276
C -6.032543 -2.538863 1.375522
C 4.814294 -3.599755 -2.100485
C 3.991768 -4.117433 1.643570
C 0.651970 3.491080 -0.923699
C 0.896289 2.212244 1.145617
C 1.120674 4.649455 -0.264149
C 1.365643 3.370043 1.805683
C 1.479164 4.592459 1.103299
H 1.455785 -2.648270 0.143977
H 2.328738 -1.545961 1.236809
H 2.532906 0.177023 -0.467250
H 1.934202 -0.900039 -1.753708
H 0.320770 1.078768 -2.002872
H -0.229977 -0.982987 -0.308526
H -5.958166 -0.389950 1.121738
H -3.801797 -2.121393 -0.254994
H -3.617680 -1.288451 1.308770
H 3.023396 -4.331470 -1.086309
H 2.767677 -2.903188 -2.117178
H 5.465204 -3.016687 0.465524
H 4.532324 -2.002631 1.573533
H -4.000835 0.953289 0.133908
H -3.992350 0.093413 -1.437631
H -6.136009 -2.125609 -1.437010
H -6.283454 -0.343773 -1.366506
H -7.531193 -1.370309 -0.614619
H -5.753814 -3.465689 0.837726
H -7.119763 -2.577218 1.572112
H -5.508936 -2.541953 2.349648
H 5.273355 -2.639092 -2.393624
H 5.531039 -4.143608 -1.459098
H 4.656192 -4.208039 -3.010144
H 2.987331 -3.977644 2.084055
H 3.958071 -5.008125 0.989817
H 4.696739 -4.332733 2.468283
H 0.362706 3.539693 -1.980000
H 0.809145 1.249941 1.661949
H 1.207254 5.593020 -0.814886
H 1.643990 3.319456 2.864864
H 1.845544 5.490371 1.614163


