%chk=000036737.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036737

0 1
 O   -1.085200       1.265600     -7.0799999E-02
 O    5.045500     -0.4604000     -0.6116000    
 O   -1.353900      -1.521600      0.6101000    
 N    2.460400      0.3050000      0.3009000    
 C    1.275900       1.160400      0.2695000    
 C   2.4800001E-02  0.3574000     -5.5199999E-02
 C    2.651000     -0.3699000     -0.9903000    
 C    3.658000       1.084700      0.6431000    
 C  -0.2182000     -0.7331000      0.9798000    
 C    3.898800      -1.246900     -0.9367000    
 C    4.882600      0.1742000      0.6573000    
 C   -2.288000      0.6098000     -8.6599998E-02
 C   -2.416500     -0.7435000      0.2328000    
 C   -3.414900       1.356700     -0.4309000    
 C   -3.665200      -1.361800      0.1656000    
 C   -4.665500      0.7410000     -0.4847000    
 C   -4.789600     -0.6175000     -0.1922000    
 H    1.141300       1.651600       1.242600    
 H    1.386400       1.973700     -0.4610000    
 H   6.5200001E-02 -6.3400000E-02  -1.066800    
 H    2.753900      0.3668000      -1.797600    
 H    1.825300      -1.042200      -1.237500    
 H    3.544200       1.542700       1.632200    
 H    3.810800       1.888600     -8.8900000E-02
 H   0.6269000      -1.423700       1.055300    
 H  -0.4003000     -0.3141000       1.978100    
 H    3.792600      -2.058600     -0.2066000    
 H    4.076500      -1.703400      -1.915800    
 H    5.783700      0.7644000      0.8521000    
 H    4.810100     -0.5892000       1.441700    
 H   -3.325700       2.413200     -0.6686000    
 H   -3.772300      -2.417300      0.4003000    
 H   -5.543300       1.319000     -0.7589000    
 H   -5.763900      -1.095400     -0.2388000    


%chk=000036737-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036737

0 1
O -1.110767 1.176940 -0.267943
O 5.276209 -0.417357 -0.472113
O -1.471711 -1.481249 0.902518
N 2.505490 0.269452 0.087562
C 1.272593 1.091286 0.058158
C 0.015014 0.222492 -0.092763
C 2.936649 -0.174730 -1.266904
C 3.629942 0.955692 0.780005
C -0.257040 -0.666486 1.125281
C 4.162681 -1.095370 -1.154402
C 4.842484 0.014979 0.866690
C -2.386302 0.573540 -0.149337
C -2.559430 -0.725844 0.405077
C -3.504669 1.300559 -0.605160
C -3.846465 -1.297735 0.467259
C -4.793956 0.730815 -0.528924
C -4.963263 -0.573486 -0.002691
H 1.195397 1.650486 1.009759
H 1.275628 1.846636 -0.763938
H 0.064990 -0.414678 -0.998990
H 3.192122 0.702467 -1.912838
H 2.114161 -0.727710 -1.756894
H 3.306769 1.233989 1.800888
H 3.932167 1.890296 0.244890
H 0.565859 -1.379249 1.280696
H -0.397291 -0.040445 2.029538
H 3.886792 -2.017250 -0.597934
H 4.547573 -1.365794 -2.151353
H 5.712644 0.527881 1.308371
H 4.580493 -0.873737 1.480861
H -3.342892 2.300057 -1.021378
H -3.950661 -2.300562 0.893503
H -5.659284 1.299399 -0.884822
H -5.960523 -1.022484 0.049228


