%chk=000058041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058041

0 1
 O  -0.8512000      0.9332000      0.3156000    
 O   0.3441000      0.5801000      -1.613400    
 N   -4.437800      0.1731000      6.5000001E-03
 N    1.362200       1.357800      0.3207000    
 C   -4.410200      -1.224800     -0.4227000    
 C   -5.585200      0.2707000      0.9083000    
 C   -5.878300      -1.532500     -0.6787000    
 C   -6.650500     -0.5472000      0.1934000    
 C   -3.194900      0.5838000      0.6424000    
 C   -2.038100      0.5083000     -0.3413000    
 C    2.712300       1.464200     -0.1824000    
 C    3.465200      0.1619000     -1.4800000E-02
 C   0.2946000      0.9252000     -0.4374000    
 C    3.435200       2.644400      0.4635000    
 C    4.388600     -0.2131000     -0.9751000    
 C    3.213500     -0.6257000       1.095100    
 C    5.082200      -1.413500     -0.8208000    
 C    3.907100      -1.826100       1.249500    
 C    4.841400      -2.219900      0.2915000    
 H   -4.024200      -1.887300      0.3627000    
 H   -3.827400      -1.381700      -1.335500    
 H   -5.905800       1.306300       1.058800    
 H   -5.371400     -0.1754000       1.888200    
 H   -6.133100      -1.372300      -1.733000    
 H   -6.120100      -2.570400     -0.4287000    
 H   -7.306100      -1.061400      0.9035000    
 H   -7.276100      9.4899997E-02 -0.4376000    
 H   -3.281300       1.618400      0.9988000    
 H   -2.966500     -2.1600001E-02   1.529900    
 H   -1.879300     -0.5167000     -0.6932000    
 H   -2.228900       1.159100      -1.203500    
 H    2.628000       1.672700      -1.257400    
 H    1.188500       1.578300       1.297200    
 H    3.533800       2.508200       1.546800    
 H    2.883100       3.576000      0.2972000    
 H    4.441900       2.766700      4.9500000E-02
 H    4.584600      0.4090000      -1.843600    
 H    2.504600     -0.3363000       1.864800    
 H    5.810200      -1.719900      -1.566300    
 H    3.722800      -2.452400       2.117500    
 H    5.382100      -3.154000      0.4124000    


%chk=000058041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058041

0 1
O -0.936044 1.315372 0.859316
O -0.193415 0.936214 -1.356578
N -4.376995 -0.033005 0.073748
N 1.282565 1.021932 0.470232
C -4.668099 0.201580 -1.371600
C -5.143510 -1.246627 0.456416
C -6.117783 -0.335395 -1.585907
C -6.502897 -1.016183 -0.233722
C -2.947851 -0.065142 0.429642
C -2.339246 1.346725 0.374302
C 2.526765 0.850529 -0.315277
C 3.481573 -0.084770 0.443300
C 0.045793 1.076001 -0.126880
C 3.124287 2.219524 -0.709054
C 3.004322 -1.354472 0.866821
C 4.827256 0.257952 0.721193
C 3.847863 -2.255739 1.549271
C 5.675972 -0.643287 1.406794
C 5.191057 -1.902278 1.823251
H -3.946034 -0.353434 -2.020308
H -4.576513 1.274427 -1.617810
H -5.219307 -1.327190 1.555738
H -4.668048 -2.186139 0.072023
H -6.822806 0.474186 -1.839575
H -6.137524 -1.063145 -2.416272
H -7.067680 -1.954162 -0.374733
H -7.114865 -0.331451 0.378744
H -2.850797 -0.445092 1.463778
H -2.357101 -0.740966 -0.239493
H -2.351362 1.753917 -0.651681
H -2.865972 2.023367 1.064828
H 2.206288 0.346002 -1.248141
H 1.339348 1.177433 1.477967
H 3.441913 2.796054 0.178878
H 2.361405 2.805103 -1.249275
H 3.994658 2.095425 -1.378289
H 1.963296 -1.629325 0.658633
H 5.223822 1.228439 0.405772
H 3.462200 -3.231622 1.865259
H 6.714337 -0.360370 1.613884
H 5.848727 -2.600290 2.353204


