%chk=000047773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047773

0 1
 O  -0.2422000      -1.602800     -0.9244000    
 O    1.807800       2.329600      0.1258000    
 O  -0.3511000       2.652700     -0.6049000    
 O    4.909000      -1.573000      0.8831000    
 N   -2.829800      0.1276000     -0.2450000    
 C   -2.916300      -1.192500      0.3950000    
 C   -4.148600      0.5800000     -0.7099000    
 C   -3.870200      -1.164900       1.590400    
 C   -5.142800      0.6655000      0.4491000    
 C   -5.252100     -0.6649000       1.185400    
 C   -1.878900      9.6199997E-02  -1.355800    
 C  -0.4983000     -0.2819000     -0.9031000    
 C   0.5561000      0.4517000     -0.4719000    
 C    1.581800     -0.4891000     -0.1915000    
 C    1.041200      -1.736700     -0.4858000    
 C    2.905600     -0.4245000      0.2773000    
 C   0.5937000       1.879100     -0.3388000    
 C    1.730400      -2.939800     -0.3454000    
 C    3.624300      -1.618200      0.4290000    
 C    3.044800      -2.852200      0.1227000    
 C    1.969300       3.741100      0.3023000    
 C    3.366300       4.017000      0.8163000    
 H   -1.951700      -1.508200      0.8039000    
 H   -3.243200      -1.958400     -0.3207000    
 H   -4.542500     -9.2699997E-02  -1.483200    
 H   -4.062400       1.577200      -1.158500    
 H   -3.461000     -0.5131000       2.372900    
 H   -3.953200      -2.168900       2.022000    
 H   -6.128000      0.9605000      7.0699997E-02
 H   -4.822500       1.446300       1.150800    
 H   -5.733000      -1.405200      0.5343000    
 H   -5.886900     -0.5538000       2.071300    
 H   -1.836500       1.075600      -1.846300    
 H   -2.206200     -0.6126000      -2.129400    
 H    3.378200      0.5211000      0.5221000    
 H    1.274200      -3.892900     -0.5851000    
 H    3.621500      -3.765900      0.2483000    
 H    1.819100       4.246200     -0.6580000    
 H    1.228700       4.103400       1.023500    
 H    5.154400     -0.6462000       1.046700    
 H    3.524700       5.089000      0.9630000    
 H    3.535800       3.500700       1.766900    
 H    4.116600       3.641100      0.1129000    


%chk=000047773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047773

0 1
O -0.163714 -1.752058 -0.844697
O 1.809782 2.371170 0.022252
O -0.352001 2.614422 -0.820261
O 5.067473 -1.538948 1.070601
N -2.844614 -0.122694 -0.233332
C -3.323540 -1.506360 0.008463
C -3.960729 0.849505 -0.366608
C -4.189773 -1.575269 1.281943
C -4.841472 0.843733 0.899290
C -5.369112 -0.578638 1.197820
C -1.872980 -0.033352 -1.355572
C -0.484128 -0.382472 -0.909286
C 0.601528 0.393214 -0.490855
C 1.678543 -0.527892 -0.128860
C 1.167886 -1.834141 -0.358464
C 3.000720 -0.387164 0.356470
C 0.593059 1.860799 -0.462331
C 1.892424 -3.012087 -0.136137
C 3.744316 -1.566124 0.587054
C 3.207649 -2.863151 0.347442
C 1.897655 3.861038 0.085572
C 3.290407 4.200344 0.607437
H -2.447572 -2.171385 0.105173
H -3.923724 -1.876207 -0.866955
H -4.601931 0.612754 -1.257769
H -3.525153 1.853080 -0.523151
H -3.557365 -1.327247 2.156055
H -4.560283 -2.609853 1.417079
H -5.680878 1.552810 0.763212
H -4.234272 1.200429 1.753519
H -6.057915 -0.892860 0.385830
H -5.952673 -0.586395 2.137958
H -1.841914 1.011934 -1.704447
H -2.159260 -0.686417 -2.216156
H 3.413620 0.608956 0.542156
H 1.460702 -3.997889 -0.327275
H 3.839330 -3.732564 0.548227
H 1.714743 4.265122 -0.926516
H 1.095250 4.228671 0.750470
H 5.367612 -0.607452 1.214179
H 3.407095 5.297482 0.673030
H 3.450120 3.775994 1.613815
H 4.071189 3.810360 -0.068375


