%chk=000046101.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046101

0 1
 O  -0.6234000      -1.128900      0.9712000    
 O   -1.304400      -1.083100      -1.251500    
 N   -1.279800       2.060600     -0.2079000    
 N   -2.688500      -1.945200      0.3988000    
 C  -0.4438000       1.721800      0.9432000    
 C   0.7026000      0.8244000      0.5592000    
 C   0.5534000     -0.5556000      0.5935000    
 C    1.904600       1.402400      0.1729000    
 C    2.837400     -0.8020000     -0.1545000    
 C    1.625600      -1.372500      0.2350000    
 C    2.976900      0.5856000     -0.1856000    
 C  -0.4917000       2.755400      -1.225100    
 C   -2.415000       2.882900      0.2092000    
 C    3.983900      -1.675200     -0.5380000    
 C   -1.531200      -1.365100     -7.8599997E-02
 C   -3.806600      -2.305600     -0.4417000    
 H   -1.046600       1.226500       1.715800    
 H  -5.0600000E-02   2.627300       1.427800    
 H    2.036300       2.480600      0.1578000    
 H    1.512700      -2.453800      0.2629000    
 H    3.917500       1.042100     -0.4824000    
 H   0.2052000       2.085300      -1.737400    
 H   4.8500001E-02   3.621300     -0.8253000    
 H   -1.150600       3.125100      -2.021000    
 H   -3.072200       3.093500     -0.6419000    
 H   -2.097600       3.837300      0.6450000    
 H   -3.024600       2.351200      0.9485000    
 H    4.579800      -1.922500      0.3461000    
 H    3.634300      -2.605800     -0.9979000    
 H    4.631200      -1.180200      -1.269900    
 H   -2.759300      -2.125500       1.395400    
 H   -4.674600      -1.724100     -0.1215000    
 H   -4.011600      -3.369400     -0.2994000    
 H   -3.594600      -2.105700      -1.494700    


%chk=000046101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046101

0 1
O -0.589060 -1.001899 0.811858
O -1.192612 -1.213984 -1.480995
N -1.391981 1.864285 -0.016039
N -2.717599 -1.566607 0.277438
C -0.268820 1.877925 0.955727
C 0.870701 0.948557 0.572956
C 0.686814 -0.454143 0.481744
C 2.173140 1.439347 0.322454
C 3.035103 -0.825838 -0.108937
C 1.733379 -1.328523 0.145293
C 3.238980 0.572671 -0.011824
C -0.998613 2.306174 -1.369013
C -2.565222 2.594880 0.498477
C 4.168223 -1.768362 -0.475345
C -1.500039 -1.241042 -0.268437
C -3.878662 -1.887383 -0.553059
H -0.685891 1.561957 1.931998
H 0.146177 2.911225 1.092165
H 2.351096 2.519796 0.386620
H 1.525212 -2.402135 0.081085
H 4.236234 0.986353 -0.202124
H -0.195030 1.657426 -1.753380
H -0.645220 3.369257 -1.396142
H -1.862106 2.209111 -2.050074
H -3.405125 2.492950 -0.211879
H -2.378302 3.689477 0.652028
H -2.879143 2.165769 1.467782
H 4.364841 -2.495833 0.334853
H 3.925847 -2.351563 -1.383337
H 5.104379 -1.216770 -0.667465
H -2.806364 -1.496148 1.290743
H -4.653743 -1.099520 -0.493501
H -4.325730 -2.853657 -0.255624
H -3.537665 -1.960654 -1.598045


