%chk=000100597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100597

0 1
 O    2.985900      -1.857200      0.3235000    
 O    1.077000       2.468300     -0.4394000    
 O    3.239600      0.9010000      0.2929000    
 O   -4.865000     -1.0100000E-02 -0.5761000    
 N   -2.970500     -0.4837000      0.6927000    
 C   -1.660300      -1.512900      -1.129900    
 C  -0.3656000     -0.8752000     -0.7543000    
 C   -2.608000      -1.722400      5.7700001E-02
 C  -0.2417000      0.5140000     -0.7712000    
 C   0.7216000      -1.668000     -0.3865000    
 C    1.932700      -1.071400     -3.5700001E-02
 C   0.9695000       1.110500     -0.4206000    
 C    2.056600      0.3177000     -5.2800000E-02
 C   -4.074000      0.2715000      0.3202000    
 C   -4.236900       1.507300       1.164100    
 C    3.109600      -2.182500       1.706700    
 C   0.7518000       3.161000      0.7643000    
 C    4.177700       1.132100     -0.7554000    
 H   -1.467900      -2.482400      -1.607100    
 H   -2.158100     -0.9042000      -1.896600    
 H   -3.517300      -2.228400     -0.2848000    
 H   -2.137300      -2.351500      0.8211000    
 H   -1.084100       1.138500      -1.059400    
 H   0.6301000      -2.751400     -0.3701000    
 H   -2.383700     -0.1544000       1.453900    
 H   -4.973600       2.172300      0.7051000    
 H   -4.579300       1.223800       2.163000    
 H   -3.285000       2.040700       1.242400    
 H    2.235600      -2.746500       2.047500    
 H    3.229100      -1.275100       2.306900    
 H    3.999200      -2.805500       1.833800    
 H    1.411900       2.848200       1.579400    
 H  -0.2933000       2.983800       1.037900    
 H   0.8918000       4.231600      0.5921000    
 H    3.757500       1.808400      -1.506500    
 H    4.472800      0.1879000      -1.223700    
 H    5.066200       1.599900     -0.3226000    


%chk=000100597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100597

0 1
O 2.719337 -2.113449 0.575786
O 1.216149 2.475476 -0.552412
O 3.279638 0.728445 0.487992
O -5.435655 -0.661832 0.023195
N -3.157915 -0.496681 0.489818
C -1.767517 -1.411680 -1.395356
C -0.448990 -0.839575 -0.892164
C -2.777217 -1.707265 -0.249889
C -0.208004 0.556665 -0.914317
C 0.537343 -1.693641 -0.340477
C 1.760323 -1.178804 0.145808
C 1.006925 1.083970 -0.423408
C 2.019430 0.220171 0.079966
C -4.467966 -0.044827 0.565928
C -4.670037 1.245626 1.358385
C 3.331351 -1.888143 1.904434
C 1.530504 3.200601 0.700183
C 4.136193 1.140882 -0.653372
H -1.586220 -2.362144 -1.932872
H -2.243384 -0.714242 -2.108392
H -3.712488 -2.125839 -0.660275
H -2.340294 -2.450949 0.445650
H -0.943777 1.253106 -1.329530
H 0.387840 -2.777886 -0.297897
H -2.412203 0.053710 0.920037
H -5.199507 1.976693 0.723940
H -5.319484 1.037073 2.226428
H -3.728413 1.696605 1.717550
H 2.558187 -1.961455 2.693650
H 3.828490 -0.905354 1.947844
H 4.062658 -2.702059 2.022785
H 2.425521 2.778395 1.189250
H 0.666294 3.156457 1.390539
H 1.709291 4.242445 0.393738
H 3.635580 1.929860 -1.243373
H 4.359264 0.267950 -1.293657
H 5.063353 1.527395 -0.203014


