%chk=000029992.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029992

0 1
 O  -0.6811000      0.1296000     -1.0000000E-03
 O   0.7522000      0.3220000      -1.772800    
 N   -3.432500      0.8311000      0.3370000    
 N    1.515900      0.1882000      0.4361000    
 C   -3.018400     -0.5257000     -2.3399999E-02
 C   -1.689700     -0.4950000     -0.7960000    
 C   -2.920500      -1.406500       1.230200    
 C   -1.236300      -1.915200      -1.148100    
 C   -2.459200      -2.819500      0.8749000    
 C   -1.151100      -2.812000      8.8299997E-02
 C   -3.468600       1.685400     -0.8491000    
 C   -4.739700      0.8087000      0.9917000    
 C   -4.421600       1.132600      -1.895100    
 C   -5.170900       2.205700       1.404500    
 C   0.5658000      0.2235000     -0.5660000    
 C    2.921600      0.2564000      0.3056000    
 C    3.651200     -0.9143000      0.1527000    
 C    3.551200       1.492800      0.3330000    
 C    5.038500     -0.8471000      2.4599999E-02
 C    4.938500       1.560000      0.2047000    
 C    2.990500      -2.254500      0.1211000    
 C    2.782100       2.763800      0.4964000    
 C    5.682200      0.3900000      5.0500002E-02
 H   -3.772100      -1.008800     -0.6599000    
 H   -1.779800      3.4299999E-02  -1.750000    
 H   -2.227600     -0.9679000       1.959600    
 H   -3.885600      -1.529700       1.730600    
 H   -1.959700      -2.352900      -1.848500    
 H  -0.2686000      -1.936300      -1.658400    
 H   -2.332800      -3.407500       1.791200    
 H   -3.235800      -3.318400      0.2819000    
 H  -0.9035000      -3.834700     -0.2182000    
 H  -0.3368000      -2.471900      0.7391000    
 H   -2.473900       1.847500      -1.276600    
 H   -3.765900       2.708300     -0.5932000    
 H   -4.670100      0.2734000       1.943600    
 H   -5.528000      0.3109000      0.4169000    
 H   -4.458400       1.842700      -2.731000    
 H   -5.453800       1.035800      -1.549300    
 H   -4.101000      0.1850000      -2.335400    
 H   -4.361600       2.754700       1.898500    
 H   -5.541300       2.796700      0.5613000    
 H   -5.998200       2.137300       2.120500    
 H    1.175300      9.4300002E-02   1.389700    
 H    5.633400      -1.748500     -9.7099997E-02
 H    5.456300       2.515400      0.2219000    
 H    2.346500      -2.342100     -0.7600000    
 H    3.721800      -3.068900      7.5700000E-02
 H    2.391500      -2.410100       1.024500    
 H    2.134400       2.931900     -0.3702000    
 H    2.170700       2.730600       1.404400    
 H    3.444000       3.632200      0.5862000    
 H    6.762300      0.4423000     -4.9600001E-02


%chk=000029992-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029992

0 1
O -0.649975 -0.700754 0.058444
O 0.604505 0.074087 -1.788617
N -3.258324 0.651238 0.570996
N 1.500152 -0.101575 0.399005
C -3.103816 -0.730038 0.017886
C -1.829617 -0.931441 -0.835726
C -3.127569 -1.801238 1.145396
C -1.745912 -2.359434 -1.414375
C -3.074421 -3.237173 0.569548
C -1.824008 -3.442015 -0.316132
C -2.735511 1.764701 -0.265390
C -4.640156 0.894491 1.068408
C -3.491227 2.067619 -1.590885
C -4.778115 2.176637 1.911496
C 0.513052 -0.208430 -0.567166
C 2.859637 0.308788 0.180335
C 3.892276 -0.571376 0.624044
C 3.159035 1.573634 -0.404650
C 5.239280 -0.176844 0.453401
C 4.523809 1.918737 -0.574654
C 3.552545 -1.909309 1.257795
C 2.073057 2.547766 -0.812752
C 5.558038 1.057395 -0.153803
H -3.947024 -0.966721 -0.688520
H -1.761204 -0.203869 -1.662943
H -2.259128 -1.616310 1.803781
H -4.035713 -1.690957 1.764137
H -2.585535 -2.487097 -2.127949
H -0.812242 -2.448408 -1.999825
H -3.082776 -3.971987 1.397422
H -3.987068 -3.425881 -0.034386
H -1.836168 -4.446978 -0.779763
H -0.916037 -3.385226 0.315502
H -1.672845 1.566578 -0.484543
H -2.739256 2.675186 0.361266
H -4.924440 0.039586 1.706021
H -5.386241 0.918959 0.232054
H -2.992470 2.897369 -2.125401
H -4.538631 2.368326 -1.405789
H -3.504031 1.194002 -2.268547
H -4.018746 2.188398 2.713630
H -4.661053 3.095346 1.309545
H -5.780072 2.213099 2.377634
H 1.246715 -0.481504 1.314003
H 6.039049 -0.848261 0.787042
H 4.769274 2.886301 -1.027913
H 2.846691 -2.485583 0.631258
H 4.461826 -2.517405 1.397951
H 3.082570 -1.793531 2.255639
H 1.593971 2.228830 -1.756045
H 1.272362 2.598072 -0.051220
H 2.487936 3.560922 -0.949083
H 6.605350 1.348877 -0.289562


