%chk=000030369.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030369

0 1
 O  -0.9636000     -0.4349000     -8.0799997E-02
 O   0.4980000     -0.8368000       1.631400    
 N   -5.100300      0.5516000     -0.7416000    
 N    1.215400     -1.2600000E-02 -0.4389000    
 C   -3.329300     -0.7667000     -5.5700000E-02
 C   -4.563800      -1.222200      0.7264000    
 C   -3.665900      0.6603000     -0.4727000    
 C   -5.649100     -0.2027000      0.3873000    
 C   -2.037200     -0.8688000      0.7373000    
 C   -5.736600       1.850000     -0.9059000    
 C   0.2908000     -0.4620000      0.4838000    
 C    2.613200      0.1208000     -0.2763000    
 C    3.134900       1.315900      0.1985000    
 C    3.442900     -0.9452000     -0.5949000    
 C    4.514300       1.448000      0.3579000    
 C    4.822300     -0.8132000     -0.4354000    
 C    2.257000       2.474500      0.5459000    
 C    2.899200      -2.239600      -1.107300    
 C    5.357900      0.3835000      4.1000001E-02
 H   -3.237400      -1.377600     -0.9654000    
 H   -4.386800      -1.245300       1.807500    
 H   -4.855700      -2.230800      0.4126000    
 H   -3.455400       1.372100      0.3362000    
 H   -3.107600      0.9632000      -1.364600    
 H   -6.592500     -0.6919000      0.1247000    
 H   -5.825400      0.4400000       1.259400    
 H   -1.869700      -1.910200       1.037100    
 H   -2.087700     -0.2459000       1.638600    
 H   -5.309700       2.377500      -1.765800    
 H   -5.622400       2.487600     -2.1800000E-02
 H   -6.806800       1.727800      -1.105200    
 H   0.8596000      0.2599000      -1.351800    
 H    4.948700       2.372700      0.7285000    
 H    5.494400      -1.632500     -0.6765000    
 H    2.840400       3.360500      0.8196000    
 H    1.630500       2.753300     -0.3080000    
 H    1.617000       2.226000       1.398800    
 H    2.286700      -2.074200      -2.000000    
 H    3.698000      -2.934100      -1.389700    
 H    2.293600      -2.730100     -0.3383000    
 H    6.431900      0.4861000      0.1656000    


%chk=000030369-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030369

0 1
O -0.954306 -0.385996 -0.313780
O 0.541635 -1.379093 1.215857
N -5.196933 0.761257 -0.479819
N 1.250183 0.094274 -0.503164
C -3.356306 -0.730724 -0.376384
C -4.608887 -1.446044 0.245434
C -3.724168 0.773377 -0.329196
C -5.671467 -0.323990 0.414038
C -2.074524 -1.085805 0.372328
C -5.860606 2.057455 -0.287870
C 0.326655 -0.630894 0.231802
C 2.662841 0.167956 -0.248046
C 3.236989 1.465559 -0.092226
C 3.463250 -1.010966 -0.210814
C 4.630618 1.568484 0.123096
C 4.852902 -0.860953 0.028096
C 2.368662 2.710738 -0.144393
C 2.877917 -2.388296 -0.444522
C 5.437051 0.411674 0.194778
H -3.246979 -1.033787 -1.432704
H -4.371618 -1.912919 1.219468
H -4.968368 -2.243582 -0.425652
H -3.401119 1.213852 0.652705
H -3.249812 1.359248 -1.134908
H -6.689602 -0.644622 0.128642
H -5.708046 0.011708 1.483404
H -1.872365 -2.172880 0.357180
H -2.109332 -0.754348 1.428043
H -5.465210 2.792340 -1.011801
H -5.722123 2.476499 0.742520
H -6.945568 1.953818 -0.469595
H 0.846000 0.739715 -1.185487
H 5.080101 2.560429 0.248912
H 5.480233 -1.759227 0.064591
H 2.948292 3.603347 0.144386
H 1.966470 2.900227 -1.160520
H 1.502559 2.627870 0.538106
H 2.153435 -2.380202 -1.280067
H 3.672811 -3.116021 -0.680375
H 2.328172 -2.738575 0.447815
H 6.514365 0.503097 0.371624


