%chk=000044138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044138

0 1
 O   -1.851100      0.3739000      0.2899000    
 O    2.318100      0.3344000     -0.1829000    
 O   0.8267000      0.9495000       1.441300    
 O   -3.857900      0.3301000     -0.8537000    
 O   0.5436000      -3.044300     -0.8188000    
 N   0.5922000      -1.091500      0.3616000    
 N    1.168600      -1.987500     -0.6780000    
 C  -0.5971000      -1.513900       1.085300    
 C   -1.844000      -1.046700      0.3539000    
 C    1.215300      0.1323000      0.6084000    
 C    3.013100       1.571800      1.0800000E-02
 C    4.193200       1.628000     -0.9358000    
 C   -2.923600      0.9353000     -0.3459000    
 C   -2.797300       2.428600     -0.3362000    
 H  -0.5688000      -1.051300       2.079100    
 H  -0.5981000      -2.599000       1.230000    
 H   -2.731300      -1.388100      0.8996000    
 H   -1.871700      -1.458100     -0.6621000    
 H    2.334200       2.407000     -0.1940000    
 H    3.365900       1.633600       1.046300    
 H    4.747800       2.562600     -0.8144000    
 H    4.871900      0.7878000     -0.7556000    
 H    3.857500       1.548100      -1.975000    
 H   -1.883000       2.726100     -0.8559000    
 H   -2.790300       2.792600      0.6942000    
 H   -3.652700       2.868800     -0.8565000    


%chk=000044138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044138

0 1
O -2.031485 0.106020 -0.660446
O 2.280521 0.350357 -0.149565
O 0.415562 1.127778 1.030918
O -3.283685 0.594034 1.246509
O 0.753895 -3.210332 -0.453256
N 0.528127 -1.104494 0.309723
N 1.329263 -2.077852 -0.368221
C -0.806694 -1.438768 0.853870
C -1.929003 -1.297154 -0.190486
C 1.044635 0.218448 0.438497
C 2.889410 1.720313 -0.048492
C 4.242731 1.637791 -0.742764
C -2.706197 0.987387 0.209548
C -2.586820 2.408199 -0.279944
H -1.003115 -0.780676 1.713551
H -0.768057 -2.491616 1.187113
H -2.884976 -1.607227 0.267508
H -1.723874 -1.883324 -1.098208
H 2.202149 2.436333 -0.533751
H 2.971147 1.981897 1.021577
H 4.740272 2.623676 -0.700166
H 4.894289 0.896736 -0.250291
H 4.126620 1.350797 -1.801254
H -2.589353 2.451419 -1.380230
H -1.621750 2.811573 0.078701
H -3.402411 3.018783 0.135160


