%chk=000050073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050073

0 1
 O    1.862300     -0.2491000      7.8999996E-03
 O   -5.153900     -0.5375000      6.6200003E-02
 O   -4.512900       1.657600      9.7499996E-02
 N   -8.814800     -0.9911000      0.1107000    
 N   -2.946400     -8.7399997E-02  5.3800002E-02
 C    6.752800     -0.7589000     -0.1125000    
 C    8.128500     -8.6900003E-02 -7.8400001E-02
 C    5.589400      0.2314000     -2.3000000E-02
 C    9.292000      -1.080500     -9.3400002E-02
 C    4.244100     -0.4930000     -3.7900001E-02
 C    10.63660     -0.3596000      1.5100000E-02
 C    3.078800      0.4851000      9.2000002E-03
 C    11.79570      -1.343300      3.9200000E-02
 C   0.7007000      0.4783000      3.0600000E-02
 C  -0.5317000     -0.1749000      3.0800000E-02
 C   -7.408200      -1.362700      7.3500000E-02
 C   0.7514000       1.872100      5.3100001E-02
 C   -1.713600      0.5658000      5.3500000E-02
 C   -6.525500     -0.1249000      8.6199999E-02
 C  -0.4303000       2.612800      7.5999998E-02
 C   -1.662800       1.959500      7.6200001E-02
 C   -9.631100      -2.101200      0.6082000    
 C   -9.277500     -0.5792000      -1.216800    
 C   -4.223700      0.4675000      7.4500002E-02
 H    6.682600      -1.469900      0.7202000    
 H    6.663500      -1.343900      -1.036200    
 H    8.197100      0.5325000      0.8248000    
 H    8.218600      0.5924000     -0.9350000    
 H    5.679800      0.8222000      0.8964000    
 H    5.643100      0.9320000     -0.8649000    
 H    9.183800      -1.781900      0.7428000    
 H    9.259300      -1.670600      -1.017000    
 H    4.157500      -1.115900     -0.9371000    
 H    4.175600      -1.183400      0.8122000    
 H    10.66280      0.2461000      0.9285000    
 H    10.76100      0.3248000     -0.8321000    
 H    3.163500       1.080700      0.9267000    
 H    3.138200       1.129900     -0.8767000    
 H    11.81760      -1.945800     -0.8745000    
 H    12.74660     -0.8068000      0.1153000    
 H    11.71810      -2.020400      0.8959000    
 H  -0.5624000      -1.261900      1.3100000E-02
 H   -7.141100      -1.951000      0.9623000    
 H   -7.165800      -2.007800     -0.7817000    
 H    1.671700       2.445900      5.6000002E-02
 H   -6.706300      0.5035000     -0.7922000    
 H   -6.709000      0.4638000      0.9933000    
 H   -2.534400       2.599000      9.4599999E-02
 H  -0.3908000       3.698200      9.3999997E-02
 H   -2.909800      -1.103900      3.6499999E-02
 H   -10.68640      -1.810600      0.6595000    
 H   -9.547500      -2.991000     -2.6300000E-02
 H   -9.333400      -2.372700       1.627300    
 H   -9.164200      -1.376000      -1.961200    
 H   -10.33670     -0.2992000      -1.179500    
 H   -8.744800      0.3073000      -1.574300    


%chk=000050073-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050073

0 1
O 1.824580 0.171938 -0.002503
O -5.116723 -0.475271 0.080614
O -4.689038 1.841151 0.004248
N -8.751549 -1.365207 0.105639
N -2.966007 0.204229 0.031539
C 6.726933 -0.763498 -0.036869
C 8.162952 -0.201670 0.063261
C 5.636773 0.327835 0.053864
C 9.254061 -1.288577 -0.063008
C 4.204943 -0.252196 -0.007413
C 10.690986 -0.729715 0.050150
C 3.137966 0.843909 0.005280
C 11.774720 -1.821001 -0.086206
C 0.676494 0.979884 -0.007214
C -0.548043 0.274941 0.009351
C -7.282284 -1.534956 0.036015
C 0.688372 2.397439 -0.027673
C -1.774320 0.980538 0.005607
C -6.572601 -0.177558 0.119292
C -0.548465 3.081640 -0.034300
C -1.782233 2.402528 -0.018575
C -9.442595 -2.574524 0.597199
C -9.343808 -0.867121 -1.153494
C -4.275174 0.656219 0.034955
H 6.567963 -1.509086 0.769903
H 6.613767 -1.313180 -0.994436
H 8.283292 0.327483 1.031863
H 8.314366 0.561959 -0.728531
H 5.767446 0.897344 0.997710
H 5.781718 1.055133 -0.772638
H 9.099388 -2.058701 0.721747
H 9.141166 -1.810857 -1.036225
H 4.081657 -0.860656 -0.923974
H 4.033666 -0.927807 0.852465
H 10.804865 -0.212980 1.025098
H 10.843036 0.043677 -0.730463
H 3.224890 1.475863 0.914256
H 3.228284 1.495664 -0.889080
H 11.700489 -2.332436 -1.064567
H 12.791892 -1.395719 -0.003462
H 11.664649 -2.589680 0.702101
H -0.517179 -0.820390 0.026582
H -6.958643 -2.146236 0.897899
H -6.952885 -2.070120 -0.889629
H 1.624982 2.960745 -0.038378
H -6.819462 0.492805 -0.722640
H -6.819297 0.338292 1.063291
H -2.730029 2.942646 -0.023181
H -0.548508 4.177333 -0.051538
H -2.863783 -0.812478 0.058420
H -10.519232 -2.358873 0.720125
H -9.346081 -3.455354 -0.087664
H -9.038997 -2.861312 1.584279
H -9.224337 -1.583221 -2.006571
H -10.423393 -0.687494 -1.005607
H -8.883930 0.092173 -1.446016


