%chk=000018886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018886

0 1
 O    4.893800      -1.091500       1.059800    
 O   -5.041600      -1.483700      0.4629000    
 O   -3.388500      -2.707100     -0.3049000    
 N    2.758900     -8.1699997E-02 -0.5288000    
 N  -0.3694000       2.699200     -5.9000002E-03
 N   -3.853600      -1.607500      7.9499997E-02
 C    1.470900     -0.2175000      -1.205800    
 C    2.611000     -0.2828000      0.9192000    
 C    3.736900      -1.034600      -1.072200    
 C   0.4927000      0.7994000     -0.6866000    
 C    3.969200     -0.1480000       1.601800    
 C    5.068500     -0.8831000     -0.3422000    
 C  -0.8479000      0.5461000     -0.3415000    
 C   -1.376500       1.765300      8.8100001E-02
 C   0.7744000       2.114100     -0.4791000    
 C   -1.680700     -0.5904000     -0.3450000    
 C   -2.701400       1.905200      0.5162000    
 C   -3.008100     -0.4656000      8.0499999E-02
 C   -3.508700      0.7640000      0.5040000    
 H    1.073100      -1.233100      -1.089000    
 H    1.594500     -4.0600002E-02  -2.282200    
 H    2.203500      -1.282300       1.122200    
 H    1.945400      0.4501000       1.385000    
 H    3.894500     -0.8500000      -2.140900    
 H    3.372300      -2.063400     -0.9545000    
 H    4.375900      0.8655000       1.498100    
 H    3.871200     -0.3576000       2.671900    
 H    5.779300      -1.633000     -0.7039000    
 H    5.513400      0.1049000     -0.5128000    
 H    1.671100       2.701400     -0.6208000    
 H  -0.4621000       3.675500      0.2384000    
 H   -1.273300      -1.540200     -0.6793000    
 H   -3.091500       2.862200      0.8461000    
 H   -4.537900      0.8780000      0.8377000    


%chk=000018886-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018886

0 1
O 5.309583 -0.910396 0.884393
O -5.400045 -1.273636 0.195003
O -3.692867 -2.664284 -0.396352
N 2.793078 -0.206353 -0.388159
N -0.410331 2.683576 0.064743
N -4.155742 -1.497689 -0.080310
C 1.426988 -0.435090 -0.922477
C 2.875655 -0.456905 1.076308
C 3.820943 -1.008039 -1.102702
C 0.457293 0.642803 -0.498644
C 4.284448 -0.119920 1.587285
C 5.218656 -0.660887 -0.563745
C -0.971044 0.499862 -0.271753
C -1.488246 1.803340 0.081551
C 0.759612 1.985098 -0.286518
C -1.857870 -0.598711 -0.327338
C -2.854303 2.024829 0.374221
C -3.214509 -0.360079 -0.030389
C -3.724134 0.925960 0.316509
H 1.024845 -1.436247 -0.621108
H 1.504623 -0.454436 -2.028309
H 2.644842 -1.525866 1.313646
H 2.129467 0.174782 1.591918
H 3.774152 -0.773777 -2.183520
H 3.647206 -2.106494 -0.978501
H 4.484285 0.964337 1.442857
H 4.394145 -0.377793 2.653404
H 5.991344 -1.299755 -1.022246
H 5.443090 0.407271 -0.774876
H 1.726361 2.478600 -0.352640
H -0.456394 3.677037 0.282140
H -1.534795 -1.609688 -0.589091
H -3.230611 3.018233 0.639127
H -4.790423 1.027516 0.531572


