%chk=000036453.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036453

0 1
 O  -0.1928000     -0.1420000      -2.474800    
 O   -3.613700     -0.4204000     -0.8687000    
 N  -0.6463000       1.329700     -0.6884000    
 N   -1.450800       2.224600      -1.345500    
 N    5.029700      0.2313000     -0.1467000    
 C   0.7601000     -0.5216000     -0.2200000    
 C    2.231100     -0.5491000     -0.6236000    
 C   0.5157000      0.3548000      0.9996000    
 C  -7.7799998E-02  0.2138000      -1.310700    
 C  -0.3150000       1.426400      0.6598000    
 C   0.2326000      -1.908500     -3.1399999E-02
 C    2.769700      0.8610000     -0.8559000    
 C   0.9931000      0.2152000       2.292800    
 C    4.251500      0.8270000      -1.226200    
 C  -0.6959000       2.381300       1.585900    
 C   0.8510000      -2.978700     -0.6735000    
 C  -0.8751000      -2.123800      0.7851000    
 C   0.6183000       1.169800       3.241800    
 C   -2.656900       1.557800      -1.840800    
 C  -0.2189000       2.243100       2.891100    
 C  -0.7219000       2.849500      -2.451300    
 C   0.3586000      -4.272000     -0.4978000    
 C   -1.367200      -3.417000      0.9608000    
 C  -0.7505000      -4.491000      0.3194000    
 C   -3.432500      0.9030000     -0.7289000    
 C    6.447800      0.1718000     -0.5053000    
 C    4.851500      0.9865000       1.094800    
 C   -3.989300       1.397500      0.3982000    
 C   -4.581000      0.2807000       1.035100    
 C   -4.324800     -0.8010000      0.2251000    
 H    2.382900      -1.066900      -1.577800    
 H    2.821600      -1.071100      0.1395000    
 H    2.595000       1.537200     -1.4800000E-02
 H    2.247200       1.318000      -1.706200    
 H    1.641500     -0.6092000       2.569000    
 H    4.591400       1.847000      -1.449000    
 H    4.375100      0.2402000      -2.145300    
 H   -1.338500       3.214100       1.323700    
 H    1.701100      -2.885300      -1.336700    
 H   -1.400700      -1.317400       1.286300    
 H   0.9788000       1.083600       4.263500    
 H   -2.450100      0.8278000      -2.633000    
 H   -3.318400       2.310800      -2.289700    
 H  -0.4963000       2.974100       3.646000    
 H   -1.320200       3.666200      -2.871700    
 H  -0.4794000       2.165500      -3.271000    
 H   0.2103000       3.302700      -2.093600    
 H   0.8349000      -5.108700      -1.000500    
 H   -2.234400      -3.587100       1.592200    
 H   -1.135400      -5.497600      0.4542000    
 H    7.023800     -0.3292000      0.2807000    
 H    6.875800       1.168000     -0.6665000    
 H    6.589000     -0.4167000      -1.418800    
 H    3.860400      0.8400000       1.531400    
 H    5.032900       2.059400      0.9619000    
 H    5.549200      0.6263000       1.860900    
 H   -3.986300       2.422700      0.7388000    
 H   -5.125600      0.2659000       1.968000    
 H   -4.565700      -1.852400      0.2831000    


%chk=000036453-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036453

0 1
O -0.174177 -0.078031 -2.517230
O -4.106498 -0.470602 -1.213713
N -0.699297 1.321118 -0.678134
N -1.615164 2.221224 -1.295670
N 5.187030 0.265440 -0.152414
C 0.809713 -0.488130 -0.213296
C 2.291874 -0.476761 -0.696175
C 0.589969 0.407858 1.010234
C -0.063474 0.225892 -1.301478
C -0.303046 1.457972 0.682803
C 0.255064 -1.913583 0.020407
C 2.874975 0.930168 -0.946183
C 1.122053 0.330377 2.305833
C 4.390087 0.882399 -1.242417
C -0.675228 2.451584 1.602226
C 0.982486 -3.079587 -0.320738
C -1.043696 -2.064908 0.577695
C 0.760963 1.320231 3.258434
C -2.804458 1.515964 -1.874669
C -0.124123 2.368110 2.905726
C -0.933487 3.117516 -2.274429
C 0.431675 -4.363894 -0.101212
C -1.595842 -3.343779 0.790881
C -0.858710 -4.503374 0.454107
C -3.588180 0.786388 -0.824851
C 6.564945 -0.041778 -0.586516
C 5.170026 1.051271 1.098221
C -3.972261 1.052983 0.479759
C -4.759857 -0.074799 0.937142
C -4.823807 -0.973176 -0.114102
H 2.350260 -1.053278 -1.639571
H 2.924632 -0.992538 0.050238
H 2.678267 1.587836 -0.078505
H 2.377121 1.398838 -1.818488
H 1.798066 -0.486984 2.581319
H 4.748158 1.921459 -1.470973
H 4.557243 0.276870 -2.154997
H -1.359898 3.252844 1.308672
H 1.982188 -3.000827 -0.756380
H -1.626613 -1.177857 0.853542
H 1.168270 1.272421 4.274105
H -2.520552 0.801128 -2.675088
H -3.418395 2.314427 -2.335062
H -0.390372 3.125955 3.651308
H -1.656241 3.886632 -2.598391
H -0.553051 2.574989 -3.164065
H -0.093791 3.620850 -1.767804
H 1.012698 -5.254094 -0.368536
H -2.600436 -3.433775 1.219797
H -1.285019 -5.499047 0.621059
H 7.099823 -0.576181 0.219376
H 7.162223 0.869248 -0.849370
H 6.537967 -0.698921 -1.474189
H 4.139736 1.146426 1.481860
H 5.589224 2.083240 0.973388
H 5.768656 0.529978 1.866686
H -3.711049 1.941929 1.048841
H -5.216121 -0.196169 1.917722
H -5.292348 -1.941893 -0.262133


