%chk=000036679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036679

0 1
 O   -2.312800       1.648200      3.4000000E-03
 N   -1.654400     -0.5833000      2.9000000E-03
 N   -3.937700     -6.0000003E-04 -3.1000001E-03
 C    4.002300     -0.1100000      1.6000000E-03
 C    2.516000     -0.2345000      1.9000000E-03
 C    4.533200      0.6093000       1.255900    
 C    4.534500      0.5871000      -1.264900    
 C    1.921700      -1.496300      1.2500000E-02
 C    1.720400      0.9112000     -8.5000005E-03
 C  -0.2423000     -0.4650000      2.4999999E-03
 C   0.5316000      -1.612400      1.2800000E-02
 C   0.3303000      0.7949000     -8.1000002E-03
 C   -2.596600      0.4484000     -6.3999998E-03
 C   -5.064300      0.9239000      1.2000000E-02
 C   -4.281700      -1.420900     -1.4600000E-02
 H    4.442400      -1.116700      1.0600000E-02
 H    4.209200       1.654800       1.296700    
 H    5.628400      0.5991000       1.269500    
 H    4.181000      0.1131000       2.167200    
 H    4.183300      7.4900001E-02  -2.167600    
 H    5.629800      0.5767000      -1.277000    
 H    4.210500       1.631800      -1.324400    
 H    2.526600      -2.399200      2.0600000E-02
 H    2.163600       1.903300     -1.7400000E-02
 H   7.8699999E-02  -2.599900      2.1199999E-02
 H  -0.2044000       1.731700     -1.8600000E-02
 H   -1.983400      -1.542500      1.0900000E-02
 H   -5.664200      0.7342000      0.9066000    
 H   -5.669700      0.7567000     -0.8835000    
 H   -4.724300       1.962300      2.3900000E-02
 H   -5.367900      -1.550900     -4.1000001E-02
 H   -3.890800      -1.894700      0.8908000    
 H   -3.849500      -1.893500     -0.9015000    


%chk=000036679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036679

0 1
O -2.441413 1.680308 0.001773
N -1.706085 -0.561504 0.006728
N -4.012576 -0.058238 -0.002976
C 4.099872 -0.120921 -0.000108
C 2.571285 -0.211089 0.001314
C 4.634062 0.590719 1.272266
C 4.632923 0.572402 -1.283004
C 1.914035 -1.466421 0.011315
C 1.755513 0.950191 -0.006813
C -0.293362 -0.384691 0.004816
C 0.507577 -1.558459 0.013020
C 0.347535 0.883699 -0.005112
C -2.697561 0.434924 0.001151
C -5.117934 0.912226 0.006206
C -4.343106 -1.490000 -0.011313
H 4.492800 -1.158307 0.007246
H 4.281438 1.637926 1.317110
H 5.740295 0.605760 1.276498
H 4.288616 0.080167 2.189299
H 4.287550 0.048123 -2.192293
H 5.739136 0.588363 -1.287949
H 4.279304 1.618507 -1.343131
H 2.510513 -2.387476 0.017768
H 2.225212 1.941766 -0.014443
H 0.028651 -2.547456 0.020745
H -0.265215 1.786777 -0.010631
H -2.010659 -1.535342 0.016518
H -5.751205 0.786465 0.905936
H -5.751825 0.802904 -0.895232
H -4.681102 1.922524 0.014705
H -5.438552 -1.601365 -0.039635
H -3.985674 -2.012085 0.900939
H -3.940548 -2.009198 -0.905812


