%chk=000005635.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005635

0 1
 O   -1.162500      -1.668500      0.6872000    
 O   -3.433600      -2.336800     -0.6173000    
 O    4.200700       1.005300      -1.323600    
 O    4.764700     -0.5388000      0.4378000    
 O   0.2496000      -2.196400       2.380900    
 N   -1.218600       2.661500      7.0900001E-02
 C   -1.422400       1.204300      0.2419000    
 C  -0.6801000      0.2528000     -0.7409000    
 C   -1.303400      -1.156800     -0.6658000    
 C   -2.918200       1.083900      6.6600002E-02
 C   -2.794700      -1.138100      -1.040500    
 C   -3.570400       2.382500      0.4129000    
 C   -2.380000       3.271200      0.7540000    
 C   0.7754000      3.3500001E-02 -0.4062000    
 C   -3.542200      4.2199999E-02 -0.4989000    
 C    1.116400     -0.8942000      0.6053000    
 C   1.5699999E-02   3.167300      0.6626000    
 C    1.789400      0.6955000      -1.112600    
 C   4.8400000E-02  -1.643300       1.308300    
 C    2.453100      -1.127300      0.9514000    
 C    3.098500      0.4432000     -0.7562000    
 C    3.420300     -0.4382000      0.2494000    
 C   -2.758700      -3.486400      -1.107800    
 C    5.252500      0.3816000     -0.5594000    
 H   -1.195800      0.9334000       1.283700    
 H  -0.7741000      0.6233000      -1.771200    
 H  -0.7687000      -1.849000      -1.331200    
 H   -2.880200      -1.072300      -2.134100    
 H   -4.115700       2.780400     -0.4500000    
 H   -4.247800       2.286600       1.266600    
 H   -2.544700       4.301100      0.4196000    
 H   -2.241000       3.286100       1.844000    
 H   -4.616400      7.9700001E-02 -0.6583000    
 H   0.1465000       2.847500       1.702600    
 H   0.8886000       2.855100      8.9800000E-02
 H   2.4900001E-02   4.263500      0.6420000    
 H    1.555400       1.393000      -1.910000    
 H    2.732200      -1.830300       1.728600    
 H   -3.442000      -4.335300      -1.006700    
 H   -2.507900      -3.388400      -2.169200    
 H   -1.870800      -3.724700     -0.5169000    
 H    5.910600     -0.1622000      -1.246800    
 H    5.835000       1.164300     -5.9700001E-02


%chk=000005635-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005635

0 1
O -1.152103 -1.732080 0.700068
O -3.579448 -2.331849 -0.507172
O 4.274007 1.138212 -1.390691
O 4.904374 -0.434280 0.310067
O 0.355767 -2.329739 2.316075
N -1.123170 2.609724 0.210487
C -1.456030 1.155034 0.251617
C -0.681730 0.231669 -0.743845
C -1.318384 -1.179515 -0.681278
C -2.943158 1.131661 -0.092847
C -2.827145 -1.195243 -1.047964
C -3.532625 2.512279 0.168355
C -2.336788 3.306291 0.742614
C 0.801176 0.050845 -0.462476
C -3.559232 0.062944 -0.646415
C 1.176974 -0.895977 0.534487
C 0.089454 3.008122 0.954385
C 1.794581 0.785157 -1.164433
C 0.143626 -1.695845 1.259580
C 2.544584 -1.116290 0.880949
C 3.127233 0.549510 -0.820184
C 3.494033 -0.377086 0.185766
C -3.067756 -3.635475 -0.940412
C 5.425344 0.624939 -0.590263
H -1.310396 0.750372 1.287117
H -0.829154 0.655787 -1.754994
H -0.763645 -1.858348 -1.360608
H -2.852347 -1.270803 -2.166021
H -3.887954 2.958069 -0.778421
H -4.387743 2.488529 0.867146
H -2.328611 4.367796 0.439059
H -2.358497 3.268819 1.860789
H -4.627613 0.083952 -0.893189
H 0.041221 2.722151 2.035566
H 0.988431 2.548806 0.518249
H 0.204862 4.105212 0.895314
H 1.522430 1.510920 -1.935095
H 2.802327 -1.838950 1.658601
H -3.814709 -4.372698 -0.607180
H -2.967181 -3.686151 -2.047333
H -2.094958 -3.863762 -0.464511
H 6.166709 0.185331 -1.275495
H 5.831243 1.453757 0.017338


