%chk=000004628.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004628

0 1
 O   -4.052300      0.6245000      0.1367000    
 O   -3.681600      -1.733500     -0.1849000    
 O    1.410000      -2.429200     -0.2596000    
 O    3.878800      -1.927200      0.4619000    
 O    4.646100      4.1200001E-02 -0.4139000    
 N   0.7730000       1.566100      0.2854000    
 C  -0.3588000      0.7231000      0.1655000    
 C  -0.1684000     -0.6777000     -2.5599999E-02
 C   -1.681700       1.203800      0.2255000    
 C   0.5636000       2.998800      0.4807000    
 C   -2.728200      0.3086000      9.8600000E-02
 C   -2.518200      -1.035100     -8.4600002E-02
 C   -1.249300      -1.564300     -0.1517000    
 C    2.040600       1.018000      0.2155000    
 C    1.210000      -1.232000     -9.5700003E-02
 C    2.334300     -0.2750000      4.0100001E-02
 C   -4.650500     -0.6750000     -4.4000000E-02
 C   0.4896000       3.734000     -0.8417000    
 C    3.743000     -0.6691000     -8.1000002E-03
 H   -1.925500       2.252100      0.3517000    
 H  -0.2965000       3.227800       1.118500    
 H    1.414900       3.410500       1.040700    
 H   -1.107900      -2.629800     -0.2970000    
 H    2.822800       1.763800      0.3211000    
 H   -5.277600     -0.6511000     -0.9427000    
 H   -5.285300     -0.8930000      0.8225000    
 H    1.399200       3.580500      -1.432000    
 H  -0.3586000       3.393300      -1.443800    
 H   0.3742000       4.809200     -0.6728000    
 H    4.812400      -2.228200      0.4452000    


%chk=000004628-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004628

0 1
O -4.103282 0.664769 0.073706
O -3.773581 -1.699643 -0.203958
O 1.356917 -2.578266 -0.175717
O 4.080946 -2.013715 -0.003135
O 4.689444 0.197641 0.290232
N 0.781426 1.544858 0.331025
C -0.353315 0.703757 0.184944
C -0.141991 -0.702925 0.018647
C -1.675483 1.252525 0.212568
C 0.639487 3.023273 0.452483
C -2.728748 0.356443 0.078049
C -2.527602 -1.036954 -0.085124
C -1.255906 -1.584978 -0.118802
C 2.040728 1.005164 0.300701
C 1.225949 -1.321410 -0.019075
C 2.325110 -0.350614 0.139854
C -4.808252 -0.643417 -0.083225
C 0.399358 3.717197 -0.904107
C 3.774768 -0.666557 0.151937
H -1.874296 2.318164 0.330484
H -0.175035 3.244514 1.164232
H 1.569473 3.402116 0.909094
H -1.053267 -2.651939 -0.243424
H 2.878528 1.700503 0.415582
H -5.407204 -0.613419 -1.008697
H -5.414330 -0.828571 0.819936
H 1.245474 3.536874 -1.589510
H -0.520270 3.353614 -1.392785
H 0.302877 4.807549 -0.754979
H 5.074178 -2.101456 0.020566


