%chk=000049192.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049192

0 1
 O  -0.5126000      0.2286000       2.293300    
 O  -0.4690000      0.5035000      -2.394200    
 O    3.097000       1.995500      7.8400001E-02
 N    1.330500       1.019700       1.179800    
 N    1.351900       1.157700      -1.161800    
 C  -0.3639000     -0.2259000     -8.3999999E-02
 C   -1.898100     -0.2880000     -0.1019000    
 C   0.2039000      -1.654300     -0.1627000    
 C   -2.474500       1.132200      1.0400000E-02
 C   0.1068000      0.3696000       1.239200    
 C   0.1305000      0.5199000      -1.319400    
 C   -2.386000      -1.208800       1.015100    
 C  -0.2685000      -2.338700      -1.440700    
 C    1.705400      -1.610900     -0.1090000    
 C   -3.995300       1.165000      6.3199997E-02
 C    2.010600       1.415700      3.4400001E-02
 C    2.431400      -2.180900      0.8596000    
 H   -2.270800     -0.6853000      -1.053200    
 H  -9.5299996E-02  -2.267700      0.6911000    
 H   -2.163100       1.738000     -0.8481000    
 H   -2.107200       1.652500      0.9014000    
 H   -1.934400      -2.196800       1.076900    
 H   -3.440900      -1.440600      0.8066000    
 H   -2.419600     -0.7577000       2.008300    
 H   -1.351500      -2.471500      -1.492700    
 H   0.1451000      -3.356100      -1.473100    
 H   7.9400003E-02  -1.859600      -2.360000    
 H    2.252700      -1.212500     -0.9592000    
 H    1.735600       1.306600       2.066400    
 H    1.772900       1.546200      -2.001100    
 H   -4.348900       2.200800      2.6400000E-02
 H   -4.377100      0.7224000      0.9880000    
 H   -4.430900      0.6303000     -0.7868000    
 H    3.514800      -2.171300      0.8104000    
 H    1.967100      -2.659400       1.714700    


%chk=000049192-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049192

0 1
O 0.014362 -0.369041 2.400096
O -0.206573 0.142049 -2.452737
O 2.413390 2.913223 0.180023
N 1.119024 1.285252 1.248808
N 1.117422 1.447923 -1.100286
C -0.282751 -0.377303 -0.045057
C -1.873123 -0.287575 -0.036751
C 0.250909 -1.886162 -0.154848
C -2.329508 1.188472 0.161892
C 0.274951 0.159991 1.286828
C 0.193559 0.402767 -1.285998
C -2.554585 -1.228740 0.980293
C -0.377621 -2.702494 -1.308864
C 1.769252 -1.900618 -0.277536
C -3.822933 1.422791 -0.154897
C 1.609771 1.950320 0.115618
C 2.626169 -2.260676 0.709450
H -2.168722 -0.591209 -1.060925
H -0.024611 -2.345742 0.812566
H -1.733617 1.853298 -0.496144
H -2.121365 1.501641 1.205329
H -2.280798 -2.285889 0.823834
H -3.651010 -1.158320 0.869132
H -2.288739 -0.963046 2.016792
H -1.474533 -2.778362 -1.217937
H 0.036428 -3.726766 -1.285647
H -0.151579 -2.256106 -2.291277
H 2.169169 -1.620829 -1.266198
H 1.481068 1.615626 2.149654
H 1.440470 1.931732 -1.944966
H -4.073579 2.496406 -0.078118
H -4.484576 0.878528 0.541827
H -4.063889 1.093298 -1.182905
H 3.710679 -2.268470 0.552378
H 2.265490 -2.557770 1.702268


