%chk=000019449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019449

0 1
 O    4.282600     -0.6416000      0.1794000    
 O    3.091000       1.818900      -1.506500    
 O    2.433200      -1.685700     -0.7166000    
 O   -6.049900      0.6388000     -0.5821000    
 N   0.8179000      0.3325000      5.9000002E-03
 N   0.1155000      0.3192000       1.038600    
 C    2.236500      0.5031000      0.3203000    
 C    2.660000       1.791300     -0.3537000    
 C   -3.912500     -0.1709000      6.9999998E-04
 C   -1.235500      0.1551000      0.6899000    
 C    2.960100     -0.7354000     -0.1528000    
 C   -3.114100      -1.288300      0.2441000    
 C   -3.369500       1.110000      0.1027000    
 C   -1.772600      -1.125000      0.5897000    
 C   -2.028000       1.273400      0.4481000    
 C    5.090400      -1.767800     -0.1773000    
 C    2.499900       3.059800      0.4450000    
 C   -5.311200     -0.3411000     -0.3592000    
 C    6.517500      -1.508100      0.2560000    
 C   -5.911300      -1.738400     -0.4722000    
 H    2.415500      0.5865000       1.401100    
 H   -3.495900      -2.302100      0.1760000    
 H   -3.971300       1.995900     -8.2000002E-02
 H   -1.157300      -2.000700      0.7785000    
 H   -1.612800       2.274700      0.5262000    
 H    4.708600      -2.664200      0.3238000    
 H    5.053900      -1.914000      -1.262600    
 H    3.095700       2.995000       1.358800    
 H    1.445800       3.209800      0.6907000    
 H    2.850900       3.912100     -0.1434000    
 H    6.907000     -0.6038000     -0.2229000    
 H    6.567700      -1.341900       1.337200    
 H    7.164200      -2.351200     -2.2000000E-03
 H   -5.857200      -2.252300      0.4910000    
 H   -5.401100      -2.307000      -1.253800    
 H   -6.966600      -1.653100     -0.7508000    


%chk=000019449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019449

0 1
O 4.471335 -0.701805 0.483994
O 3.224123 1.013118 -1.937302
O 2.874102 -2.137404 -0.435340
O -6.382682 0.450415 0.848961
N 0.878013 -0.163270 -0.015492
N 0.072787 0.595192 0.668188
C 2.306923 0.204360 0.205060
C 2.692567 1.313891 -0.847073
C -4.116390 -0.121552 0.269849
C -1.324237 0.296990 0.480515
C 3.193763 -1.029112 0.031117
C -3.205375 -0.946559 -0.450996
C -3.607645 0.914955 1.098994
C -1.819285 -0.745047 -0.351872
C -2.222045 1.123064 1.205709
C 5.520671 -1.756072 0.304709
C 2.346824 2.726134 -0.423409
C -5.610209 -0.304815 0.189008
C 6.832702 -1.161264 0.802962
C -6.171444 -1.409598 -0.697997
H 2.456254 0.649428 1.207821
H -3.582884 -1.749522 -1.092273
H -4.323945 1.536668 1.645366
H -1.105504 -1.369830 -0.897312
H -1.807919 1.912398 1.841291
H 5.212152 -2.648816 0.878174
H 5.552745 -2.024347 -0.766317
H 3.096505 3.072430 0.315045
H 1.363331 2.755213 0.079895
H 2.362702 3.403103 -1.291153
H 7.101107 -0.260893 0.224691
H 6.763389 -0.885466 1.869152
H 7.644520 -1.902454 0.688245
H -5.804006 -2.402719 -0.378436
H -5.866012 -1.267722 -1.751555
H -7.269834 -1.395592 -0.636620


