%chk=000054713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054713

0 1
 O   0.4228000      0.8187000       1.380000    
 O   -1.997800     -0.6347000       2.388700    
 O   -2.967600     -0.6639000      -2.141800    
 O    2.681300       1.311600      0.8101000    
 N   -2.253100     -0.2900000      7.1099997E-02
 N   0.6399000      3.8300000E-02 -0.8022000    
 N    3.925100      -1.376600      -1.006200    
 N    4.161400     -0.2998000     -0.1298000    
 C   -1.492400      0.9317000     -0.1008000    
 C   -2.024100       2.073000      0.7737000    
 C  -4.4599999E-02  0.6164000      0.2607000    
 C   -2.414300     -0.9271000       1.283200    
 C   -2.895700     -0.9433000     -0.9595000    
 C    1.937000     -0.3365000     -0.7435000    
 C   -3.230600      -2.108000       1.003000    
 C   -3.521600      -2.117700     -0.3532000    
 C    2.582800      -1.319000      -1.383700    
 C   -3.251000       2.731200      0.1911000    
 C    2.940900      0.3409000      0.1178000    
 C   -3.685900      -3.093600       1.854400    
 C   -4.283100      -3.113600     -0.9294000    
 C    5.454400      0.2101000      0.1469000    
 C    2.007900      -2.301900      -2.347200    
 C    4.568300      -2.655800     -0.7230000    
 C   -3.101100       3.810400     -0.6656000    
 C   -4.505800       2.245000      0.5231000    
 C   -4.459300      -4.113400       1.292600    
 C   -4.754800      -4.123300     -8.5900001E-02
 C   -4.234900       4.418900      -1.204100    
 C   -5.639600       2.853500     -1.5500000E-02
 C    5.650900       1.089500       1.216200    
 C    6.543600     -0.1617000     -0.6477000    
 C   -5.504100       3.940500     -0.8791000    
 C    6.923300       1.591900       1.488400    
 C    7.816000      0.3408000     -0.3755000    
 C    8.005900       1.217500      0.6926000    
 H   -1.524500       1.229800      -1.157100    
 H   -2.234900       1.759000       1.802500    
 H   -1.248500       2.845300      0.8785000    
 H   9.0099998E-02 -0.3124000      -1.582000    
 H   -3.459100      -3.086000       2.914000    
 H   -4.511000      -3.121200      -1.988700    
 H    2.042200      -3.314900      -1.934000    
 H   0.9647000      -2.081300      -2.592600    
 H    2.575500      -2.290400      -3.283500    
 H    5.564900      -2.558400     -0.2860000    
 H    3.965500      -3.236500     -1.5000000E-02
 H    4.670400      -3.237200      -1.645400    
 H   -2.117200       4.188900     -0.9273000    
 H   -4.623100       1.400400       1.195800    
 H   -4.839500      -4.911200       1.925500    
 H   -5.358800      -4.928500     -0.4962000    
 H    4.840500       1.382800       1.875800    
 H    6.432500     -0.8109000      -1.511400    
 H   -4.129400       5.264800      -1.877100    
 H   -6.627900       2.480900      0.2377000    
 H   -6.387000       4.414100      -1.298500    
 H    7.072900       2.270000       2.323600    
 H    8.657800      5.6299999E-02  -1.000200    
 H    8.996600       1.609100      0.9041000    


%chk=000054713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054713

0 1
O 0.123946 0.273694 2.371194
O -3.263036 -1.413510 1.631991
O -1.370766 0.563854 -2.205634
O 3.013362 1.440000 -1.481996
N -2.220205 -0.117973 -0.096140
N 0.766858 0.311764 0.114133
N 4.091689 -1.074438 0.808545
N 4.364943 -0.067199 -0.174417
C -1.539578 0.962393 0.657351
C -2.383145 1.547348 1.814364
C -0.143405 0.480004 1.153401
C -3.019319 -1.185960 0.422842
C -2.090333 -0.206270 -1.515686
C 2.117515 -0.064567 0.265533
C -3.472541 -1.962433 -0.778839
C -2.919259 -1.371611 -1.939895
C 2.700571 -1.029088 1.073438
C -3.704884 2.134595 1.336707
C 3.142879 0.570279 -0.568138
C -4.295227 -3.095047 -0.856444
C -3.165967 -1.892368 -3.218761
C 5.586588 -0.083065 -0.912277
C 2.090756 -1.961025 2.077762
C 5.054821 -1.143660 1.938118
C -3.729118 3.316454 0.550156
C -4.937076 1.517938 1.670789
C -4.556275 -3.628817 -2.146000
C -4.000576 -3.036963 -3.308693
C -4.951035 3.866007 0.104598
C -6.163230 2.065935 1.227902
C 6.039470 1.118060 -1.516332
C 6.329851 -1.283197 -1.061257
C -6.174773 3.240721 0.441904
C 7.238322 1.108984 -2.259329
C 7.536982 -1.270135 -1.791762
C 7.998715 -0.076563 -2.393203
H -1.364656 1.750293 -0.102785
H -2.541892 0.769863 2.576917
H -1.757226 2.331301 2.280642
H 0.499797 0.656274 -0.820466
H -4.716224 -3.544836 0.048105
H -2.729549 -1.427803 -4.108267
H 2.016202 -1.495037 3.076438
H 1.058956 -2.205531 1.779802
H 2.666419 -2.900218 2.149957
H 6.070184 -1.317653 1.551480
H 5.046653 -0.210440 2.534368
H 4.771884 -1.990431 2.581786
H -2.786289 3.817438 0.293301
H -4.930111 0.606400 2.279831
H -5.195795 -4.512195 -2.246987
H -4.219391 -3.472007 -4.289607
H 5.443481 2.028025 -1.417251
H 5.942731 -2.216852 -0.640050
H -4.950861 4.780889 -0.498851
H -7.106633 1.578001 1.498453
H -7.124346 3.667466 0.099599
H 7.581581 2.036461 -2.730503
H 8.107464 -2.198834 -1.904586
H 8.932901 -0.072216 -2.964844


