%chk=000090987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090987

0 1
 O    1.862600     -0.3894000      -2.553000    
 O   -4.309100       1.565700      0.3360000    
 O   -2.954600      -2.393900      -1.196500    
 O   -2.184000      -2.738400      0.9040000    
 O   -4.073300     -0.4955000       1.333500    
 N    4.747800      -2.039400       1.258100    
 C    1.681900      0.6177000      -1.542000    
 C   0.3051000      0.5601000     -0.9717000    
 C    2.784900      0.5345000     -0.4912000    
 C  -0.3269000     -0.6711000     -0.7966000    
 C  -0.3508000       1.738000     -0.6134000    
 C   -1.614700     -0.7242000     -0.2631000    
 C   -2.270400      0.4537000      9.5100001E-02
 C    3.246600     -0.7070000     -0.1112000    
 C   -1.638500       1.684800     -7.9999998E-02
 C    3.282100       1.704000      4.1499998E-02
 C    4.255500     -0.7825000      0.8491000    
 C    4.290900       1.628500       1.001600    
 C    4.777700      0.3853000       1.405500    
 C   -2.248500      -2.025200     -9.2100002E-02
 C   -3.615700      0.4314000      0.6548000    
 C   -5.648700       1.662900      0.8316000    
 H    1.803400       1.562700      -2.088400    
 H   0.1775000      -1.596500      -1.064900    
 H   0.1307000       2.703900     -0.7413000    
 H    2.838500      -1.619400     -0.5367000    
 H   -2.114600       2.620200      0.2023000    
 H    2.909000       2.675800     -0.2667000    
 H    4.697200       2.537800       1.435000    
 H    1.100000     -0.3500000      -3.155400    
 H    5.564000      0.3397000       2.154700    
 H    4.370100      -2.886700      0.8552000    
 H    5.479600      -2.094400       1.953900    
 H   -3.381500      -3.269600      -1.080700    
 H   -6.067600       2.615200      0.4961000    
 H   -5.648300       1.643500       1.925500    
 H   -6.259000      0.8482000      0.4307000    


%chk=000090987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090987

0 1
O 2.001624 -0.330309 -2.622285
O -4.475926 1.585089 0.113424
O -3.284444 -2.260748 -0.384031
O -1.412069 -2.858256 0.856272
O -4.020497 -0.234182 1.495235
N 5.037934 -2.152916 0.867742
C 1.780742 0.717228 -1.608004
C 0.341233 0.662738 -1.086505
C 2.806765 0.512730 -0.492103
C -0.204214 -0.560977 -0.626991
C -0.470630 1.820159 -1.072610
C -1.533003 -0.634581 -0.159472
C -2.330804 0.547343 -0.097517
C 3.459563 -0.725068 -0.337791
C -1.787401 1.765797 -0.570592
C 3.067171 1.577633 0.407278
C 4.386995 -0.926304 0.724711
C 3.983566 1.378570 1.463222
C 4.641225 0.143357 1.630792
C -2.042436 -1.997557 0.203041
C -3.662835 0.546560 0.582483
C -5.795752 1.700072 0.777873
H 1.943087 1.719078 -2.061481
H 0.409210 -1.467349 -0.640437
H -0.069071 2.771724 -1.441426
H 3.263985 -1.521668 -1.062952
H -2.405302 2.666422 -0.526745
H 2.560376 2.542599 0.290244
H 4.190626 2.194968 2.164729
H 1.275843 -0.279002 -3.294460
H 5.351420 0.003935 2.455257
H 4.839536 -2.922250 0.235334
H 5.686703 -2.312426 1.632327
H -3.610011 -3.148477 -0.073779
H -6.284170 2.552297 0.285225
H -5.665978 1.882065 1.858137
H -6.374160 0.772107 0.635155


