%chk=000094567.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094567

0 1
 O   -4.767100      0.8950000     -0.8906000    
 O   -4.033000      -1.148600      -1.213000    
 N    1.553100     -0.4660000      0.4142000    
 N    4.191600      0.3777000     -0.4139000    
 N   -1.716100     -0.5853000      0.2308000    
 N   -1.092900       1.299300       1.226800    
 N   -3.880300      8.2000000E-03 -0.7243000    
 C    1.868000      0.9521000      0.2016000    
 C    2.754000      -1.200200      0.8311000    
 C    2.990700       1.113200     -0.8290000    
 C    3.876300      -1.040200     -0.2003000    
 C   0.4837000     -0.6184000       1.398600    
 C  -0.7834000      6.7199998E-02  0.9608000    
 C    5.259900      0.5291000      -1.399700    
 C   -2.723900      0.3089000      3.5999999E-03
 C   -1.663800      -1.956500     -0.2250000    
 C   -2.316900       1.464400      0.6282000    
 H    2.158600       1.438500       1.142800    
 H    1.009000       1.497700     -0.2022000    
 H    2.522200      -2.268300      0.9235000    
 H    3.103500     -0.8552000       1.813700    
 H    2.641600      0.7693000      -1.812400    
 H    3.224500       2.180900     -0.9209000    
 H    4.764300      -1.565200      0.1724000    
 H    3.582900      -1.522500      -1.142600    
 H   0.7875000     -0.1727000       2.357000    
 H   0.2986000      -1.673500       1.627400    
 H    5.522800       1.585700      -1.522100    
 H    4.979700      0.1277000      -2.380300    
 H    6.168100      1.6300000E-02  -1.064000    
 H   -1.760600      -1.971500      -1.313900    
 H  -0.7091000      -2.424000      1.3300000E-02
 H   -2.462900      -2.520000      0.2635000    
 H   -2.837400       2.410200      0.6803000    


%chk=000094567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094567

0 1
O -4.859552 0.818585 -0.802785
O -3.737084 -0.970227 -1.695340
N 1.527771 -0.386636 0.620685
N 4.104549 0.222052 -0.544938
N -1.579230 -0.477071 0.149695
N -1.526421 1.133015 1.766733
N -3.839862 0.020969 -0.857099
C 1.864552 0.994833 0.178320
C 2.755719 -1.108400 1.049222
C 2.884196 0.945912 -0.969971
C 3.770525 -1.151064 -0.104680
C 0.480814 -0.407017 1.675990
C -0.854482 0.088692 1.192679
C 5.166453 0.248741 -1.568622
C -2.778621 0.258524 0.073399
C -1.143674 -1.626214 -0.673961
C -2.719449 1.241969 1.077264
H 2.291401 1.590784 1.020979
H 0.941586 1.498662 -0.161507
H 2.479640 -2.140289 1.339143
H 3.232833 -0.613775 1.930463
H 2.404919 0.461242 -1.859902
H 3.163831 1.977339 -1.254209
H 4.695810 -1.650100 0.238948
H 3.339713 -1.760960 -0.941183
H 0.739823 0.221284 2.559657
H 0.386114 -1.452791 2.031871
H 5.425483 1.295775 -1.807358
H 4.877282 -0.262008 -2.522146
H 6.073298 -0.246037 -1.176988
H -1.341378 -1.422229 -1.735583
H -0.061197 -1.747729 -0.511992
H -1.702260 -2.534298 -0.392446
H -3.469902 1.991766 1.311059


