%chk=000100669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100669

0 1
 O    6.245000      0.3504000      7.7500001E-02
 O    4.984300      -1.536400     -0.2076000    
 N  -0.5095000       2.195000      0.2988000    
 N   -1.426700     -0.4528000     -2.9100001E-02
 N    2.221100     -0.9551000     -0.1417000    
 N    4.007800      0.5732000      9.5100001E-02
 N   0.4224000      -2.479800     -0.3655000    
 C   -1.885800       1.984900     -9.6199997E-02
 C   -2.290200      0.5191000     -2.8800000E-02
 C   0.3998000       1.164100      0.1440000    
 C  -6.0100000E-02 -0.1426000     -3.4499999E-02
 C   -3.747700      0.1888000     -5.4000001E-03
 C    1.774800       1.394800      0.2012000    
 C   0.8847000      -1.152900     -0.1727000    
 C    2.632300      0.3164000      4.8700001E-02
 C   -4.657400       1.028400     -0.6414000    
 C   -4.186400     -0.9569000      0.6523000    
 C   -6.462200     -0.4272000      3.8100000E-02
 C   -6.017500      0.7198000     -0.6196000    
 C   -5.546500      -1.265600      0.6742000    
 C   -7.916700     -0.7566000      6.1999999E-02
 C    5.059400     -0.3267000     -2.9999999E-02
 C    7.433500     -0.4418000     -2.9999999E-02
 C    8.641400      0.4598000      0.1106000    
 H   -2.009400       2.325200      -1.130500    
 H   -2.538300       2.582700      0.5480000    
 H  -0.1672000       3.143100      0.4002000    
 H    2.155900       2.400800      0.3540000    
 H   -4.339600       1.921200      -1.171300    
 H   -3.490600      -1.619800       1.159500    
 H   -6.720900       1.378400      -1.122200    
 H   -5.880600      -2.162200       1.189700    
 H    4.276600       1.543600      0.2393000    
 H  -0.4835000      -2.730500      1.1000000E-02
 H    1.124500      -3.203600     -0.4562000    
 H   -8.528000      0.1518000      3.5200000E-02
 H   -8.175000      -1.379000     -0.8005000    
 H   -8.184800      -1.295900      0.9769000    
 H    7.441200      -1.197300      0.7635000    
 H    7.453800     -0.9382000      -1.006500    
 H    9.569100     -0.1142000      3.3199999E-02
 H    8.637800       1.232600     -0.6652000    
 H    8.625400      0.9778000       1.075300    


%chk=000100669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100669

0 1
O 6.319514 0.333839 -0.010695
O 5.110219 -1.676613 0.229045
N -0.474593 2.216435 -0.227531
N -1.434824 -0.423502 0.062202
N 2.236889 -1.016583 0.165580
N 4.078805 0.474571 -0.026798
N 0.431974 -2.494030 0.345591
C -1.930509 2.040641 -0.073517
C -2.324784 0.551872 -0.018882
C 0.444372 1.189572 -0.093133
C -0.064225 -0.137268 0.065285
C -3.766922 0.231124 -0.025488
C 1.844298 1.395745 -0.127494
C 0.881238 -1.206215 0.191552
C 2.681640 0.252770 0.007028
C -4.765315 1.246110 -0.034787
C -4.202624 -1.127350 -0.018132
C -6.568274 -0.435223 -0.030503
C -6.137871 0.913693 -0.036753
C -5.568473 -1.449509 -0.021340
C -8.042249 -0.797331 -0.029408
C 5.126891 -0.439746 0.081783
C 7.578813 -0.451702 0.076572
C 8.728343 0.549373 0.004561
H -2.454790 2.524504 -0.924077
H -2.296536 2.543420 0.851739
H -0.127333 3.164302 -0.368161
H 2.267448 2.399040 -0.250457
H -4.485487 2.305163 -0.035599
H -3.438350 -1.910003 -0.013199
H -6.886108 1.715592 -0.043111
H -5.875269 -2.503111 -0.018846
H 4.386795 1.441726 -0.144732
H -0.572243 -2.660349 0.357557
H 1.112809 -3.245065 0.423600
H -8.680859 0.099798 -0.100608
H -8.294055 -1.460836 -0.878096
H -8.321966 -1.336951 0.895648
H 7.575809 -1.021170 1.023986
H 7.600953 -1.176921 -0.757606
H 9.694066 0.014994 0.064457
H 8.701907 1.113261 -0.943802
H 8.677078 1.268733 0.839967


