%chk=000005599.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005599

0 1
 O    3.518100      -1.528300     -0.4430000    
 O    1.898900      -1.513300       1.186100    
 N   -1.713700       2.014600      0.4010000    
 N    3.114400       1.317200      0.6276000    
 C   5.7700001E-02   1.048100     -0.5235000    
 C  -0.9532000      6.0100000E-02 -0.3597000    
 C   -2.054000      0.6926000      0.2223000    
 C    1.402300      0.8440000      -1.099700    
 C  -0.4396000       2.239100     -4.6799999E-02
 C   -1.037800      -1.315800     -0.6515000    
 C   -3.239700      1.5300000E-02  0.5284000    
 C    2.406800      0.4654000     -3.5500001E-02
 C   -2.217600      -2.006200     -0.3510000    
 C   -3.300300      -1.348900      0.2299000    
 C    2.557800     -0.9836000      0.3152000    
 H    1.751600       1.761700      -1.588300    
 H    1.389500      6.3800000E-02  -1.868800    
 H  -2.7000001E-03   3.226100      1.5400000E-02
 H   -2.317800       2.717200      0.8046000    
 H  -0.2046000      -1.844400      -1.105600    
 H   -4.083100      0.5261000      0.9806000    
 H   -2.288600      -3.067500     -0.5741000    
 H   -4.207100      -1.904700      0.4550000    
 H    3.712800      0.8399000       1.310200    
 H    3.661000      -2.476700     -0.2372000    


%chk=000005599-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005599

0 1
O 2.038420 -1.617217 0.265412
O 3.559765 -0.596959 1.697880
N -1.564720 1.752760 0.747051
N 3.412093 1.729808 -0.023781
C 0.146398 0.873456 -0.487585
C -0.952669 -0.076407 -0.478443
C -2.017749 0.505435 0.298053
C 1.488150 0.731387 -1.183015
C -0.263426 1.969947 0.275623
C -1.145028 -1.361330 -1.052520
C -3.251836 -0.149810 0.503778
C 2.621768 0.698420 -0.172362
C -2.373206 -2.019935 -0.851945
C -3.416099 -1.421014 -0.082960
C 2.795343 -0.536234 0.706300
H 1.682566 1.585001 -1.854965
H 1.494262 -0.192431 -1.787044
H 0.279571 2.884266 0.509164
H -2.097180 2.402141 1.321511
H -0.347110 -1.835217 -1.634422
H -4.054821 0.305450 1.094485
H -2.537129 -3.010824 -1.290208
H -4.360424 -1.959728 0.053762
H 4.107354 1.575042 0.743202
H 2.166807 -2.394207 0.874629


