%chk=000048821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048821

0 1
 O    2.415000      -1.344500      -1.699900    
 O  -0.2010000      0.2477000       1.859800    
 O    3.393300       2.653900      0.3280000    
 N    2.842100      0.6997000     -0.7503000    
 N    1.535700       1.494700       1.028300    
 C   0.6795000     -0.3731000     -0.3126000    
 C   0.1984000      -1.803100     -2.6500000E-02
 C  -0.2787000      0.2948000      -1.315100    
 C    2.054200     -0.4199000     -0.9719000    
 C   0.6265000      0.4490000      0.9713000    
 C    1.141200      -2.512400      0.9348000    
 C   -1.667400      0.3891000     -0.7573000    
 C   0.6781000      -3.936000       1.198900    
 C    2.633500       1.692500      0.1995000    
 C   -2.567900     -0.6494000     -0.9704000    
 C   -2.043800       1.514000     -3.0999999E-02
 C   -3.859600     -0.5618000     -0.4514000    
 C   -3.335600       1.601400      0.4880000    
 C   -4.243500      0.5634000      0.2778000    
 H   0.1240000      -2.380900     -0.9570000    
 H  -0.7890000      -1.821800      0.4453000    
 H  -0.2960000     -0.2588000      -2.264400    
 H   7.1599998E-02   1.301300      -1.584200    
 H    1.197200      -1.988400       1.895000    
 H    2.161000      -2.559500      0.5400000    
 H    3.704700      0.7609000      -1.284000    
 H    1.434800       2.142000       1.805200    
 H  -0.3215000      -3.948900       1.645200    
 H   0.6492000      -4.518600      0.2725000    
 H    1.363600      -4.435300       1.891200    
 H   -2.289200      -1.526200      -1.548200    
 H   -1.354700       2.338900      0.1281000    
 H   -4.567500      -1.368400     -0.6178000    
 H   -3.635800       2.479300       1.052700    
 H   -5.249700      0.6322000      0.6807000    


%chk=000048821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048821

0 1
O 2.272206 -1.226332 -1.933951
O 0.001433 0.326542 2.020473
O 3.672649 2.594756 0.311586
N 2.907934 0.696312 -0.820173
N 1.741046 1.510031 1.064465
C 0.710784 -0.368479 -0.235164
C 0.267765 -1.819076 0.090978
C -0.335856 0.342741 -1.230453
C 2.019421 -0.373914 -1.044643
C 0.779772 0.471859 1.045900
C 1.260439 -2.605096 0.978383
C -1.769115 0.420201 -0.737966
C 0.750211 -4.032212 1.270767
C 2.827017 1.674559 0.188188
C -2.693170 -0.612880 -1.044307
C -2.226000 1.540841 0.002327
C -4.035171 -0.534376 -0.611991
C -3.566629 1.623558 0.436210
C -4.475626 0.584175 0.132528
H 0.133020 -2.355408 -0.867100
H -0.712969 -1.767130 0.595371
H -0.283062 -0.248316 -2.163442
H 0.044763 1.357308 -1.456428
H 1.408547 -2.068992 1.935965
H 2.245520 -2.666211 0.475642
H 3.730149 0.754720 -1.429918
H 1.720989 2.144241 1.869939
H -0.223639 -4.004346 1.794137
H 0.616222 -4.605421 0.334318
H 1.460568 -4.589018 1.908112
H -2.361398 -1.476612 -1.633340
H -1.530116 2.355574 0.238087
H -4.736088 -1.339296 -0.859452
H -3.902061 2.495829 1.007784
H -5.516856 0.647669 0.467468


