%chk=000047145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047145

0 1
 O  -0.2796000      0.7362000      -1.601600    
 O    2.023000      -1.554900       1.699400    
 O   -2.548600      -1.747900       1.602600    
 N   -1.475700     -0.6286000     -0.1433000    
 N  -0.2643000      -1.690700       1.587400    
 C   0.9567000     -0.9459000     -0.3895000    
 C    2.200300     -9.1799997E-02 -0.6821000    
 C   0.9993000      -2.211300      -1.265300    
 C    2.215200       1.160000      0.1889000    
 C  -0.3043000     -0.1720000     -0.7690000    
 C   0.9829000      -1.396000       1.061900    
 C    3.476500       2.019300     -1.6799999E-02
 C   -2.750600     -0.1479000     -0.6625000    
 C    1.009600      -1.852200      -2.733900    
 C   -1.509900      -1.393700       1.038500    
 C    4.726400       1.182000      0.2662000    
 C    3.482600       3.268700      0.8652000    
 C   -3.246500       1.094000      7.0799999E-02
 C   -4.597900       1.585600     -0.4529000    
 C   -5.095100       2.787100      0.3358000    
 H    2.242000      0.2431000      -1.723800    
 H    3.093200     -0.7013000     -0.5075000    
 H    1.885900      -2.813900      -1.029800    
 H   0.1325000      -2.854200      -1.065400    
 H    1.345400       1.791400     -2.4700001E-02
 H    2.147800      0.9068000       1.252700    
 H    3.512400       2.348800      -1.062900    
 H   -3.491200     -0.9511000     -0.5664000    
 H   -2.649300      6.8400003E-02  -1.732500    
 H   0.9909000      -2.779600      -3.319400    
 H    1.915800      -1.326600      -3.044100    
 H   0.1337000      -1.281000      -3.051200    
 H  -0.2740000      -2.124400       2.506400    
 H    5.619800       1.816800      0.2808000    
 H    4.662100      0.6766000       1.235900    
 H    4.897700      0.4304000     -0.5100000    
 H    2.600400       3.885700      0.6651000    
 H    4.370000       3.880500      0.6717000    
 H    3.476600       3.003800       1.927900    
 H   -3.331400      0.8808000       1.143700    
 H   -2.504400       1.896600     -2.4400000E-02
 H   -4.509100       1.856600      -1.511100    
 H   -5.338200      0.7801000     -0.3839000    
 H   -4.389600       3.621200      0.2657000    
 H   -6.060000       3.124200     -5.5700000E-02
 H   -5.226600       2.535700       1.393100    


%chk=000047145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047145

0 1
O -0.459012 0.391624 -1.801998
O 2.069369 -2.084149 1.485428
O -2.537300 -1.724026 1.800072
N -1.521927 -0.735560 -0.074181
N -0.229811 -1.883579 1.573263
C 0.957940 -1.104610 -0.480658
C 2.153370 -0.128047 -0.675109
C 1.091228 -2.367067 -1.442126
C 2.138647 1.078731 0.290284
C -0.365499 -0.402163 -0.826644
C 1.005387 -1.701347 0.932465
C 3.293106 2.088006 0.044215
C -2.837216 -0.178991 -0.507269
C 1.206164 -2.051054 -2.946021
C -1.501594 -1.466948 1.132942
C 4.683617 1.462339 0.311591
C 3.091373 3.349475 0.917553
C -3.131238 1.199238 0.121601
C -4.492651 1.757065 -0.350569
C -4.814015 3.132488 0.272477
H 2.124893 0.242221 -1.714871
H 3.078584 -0.715242 -0.537027
H 1.991361 -2.913858 -1.102094
H 0.223271 -3.034566 -1.267878
H 1.176643 1.620057 0.179617
H 2.199725 0.724051 1.339894
H 3.250198 2.397772 -1.022307
H -3.610796 -0.907741 -0.212610
H -2.801799 -0.097031 -1.606410
H 1.221869 -2.998458 -3.515408
H 2.137153 -1.506973 -3.179281
H 0.360123 -1.443551 -3.309266
H -0.220992 -2.364394 2.479049
H 5.484829 2.211026 0.168124
H 4.748367 1.090454 1.352371
H 4.896039 0.613644 -0.363144
H 2.118217 3.832658 0.709224
H 3.887706 4.094637 0.734413
H 3.116378 3.087516 1.993299
H -3.133480 1.104894 1.224839
H -2.324317 1.904779 -0.154693
H -4.491060 1.842753 -1.456202
H -5.294977 1.037055 -0.090331
H -4.042909 3.879102 0.005193
H -5.790135 3.514638 -0.077890
H -4.852427 3.068530 1.376072


