%chk=000084744.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084744

0 1
 O    3.317600     -0.3561000     -0.7142000    
 O    1.614100       2.609700      0.3635000    
 O    4.208200       2.496500     -0.4710000    
 O    4.932600      -1.991300      0.8938000    
 O  -0.4444000      0.9827000      -1.685600    
 O   -2.073300      -3.025000      8.4200002E-02
 N   0.9904000     -0.4078000     -0.4992000    
 N   -1.310200      -1.004000     -0.8289000    
 C    2.309300       1.391000      0.5294000    
 C    2.130400      0.4509000     -0.6503000    
 C    3.810700       1.584100      0.5523000    
 C    4.316400      0.2000000      0.1690000    
 C    4.470300     -0.7359000       1.360300    
 C  -0.2679000     -6.3000001E-02  -1.052800    
 C    1.148000      -1.590800      0.2068000    
 C   0.1701000      -2.469800      0.4168000    
 C   -2.623100     -0.6932000      -1.383400    
 C   -1.180100      -2.205400     -0.1193000    
 C   -3.470400      8.5299999E-02 -0.4190000    
 C   -3.423300       1.474600     -0.4287000    
 C   -4.294000     -0.5906000      0.4737000    
 C   -4.210500       2.198000      0.4671000    
 C   -5.081300      0.1329000       1.369400    
 C   -5.039600       1.527200       1.366100    
 H    1.981400      0.9309000       1.469300    
 H    2.040600       1.003500      -1.593100    
 H    4.193800       1.962800       1.503300    
 H    5.252800      0.2398000     -0.3989000    
 H    3.536700     -0.8875000       1.907000    
 H    5.213700     -0.3365000       2.058100    
 H   0.6699000       2.396700      0.2711000    
 H    3.970500       2.125200      -1.336800    
 H    2.120300      -1.822800      0.6122000    
 H   0.3355000      -3.384300      0.9739000    
 H   -3.136000      -1.623400      -1.659400    
 H   -2.509300     -0.1305000      -2.318400    
 H    5.036300      -2.565700       1.671500    
 H   -2.792000       2.013400      -1.128400    
 H   -4.345000      -1.675100      0.4834000    
 H   -4.180000       3.283700      0.4630000    
 H   -5.728700     -0.3892000       2.068000    
 H   -5.653500       2.090500       2.062800    


%chk=000084744-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084744

0 1
O 3.491674 -0.511986 -0.617830
O 1.823433 2.650055 -0.838844
O 4.442938 2.380117 -0.572393
O 4.178952 -1.883371 1.728847
O -0.246423 0.991325 -1.572995
O -2.220175 -3.123731 -0.429933
N 1.099632 -0.724550 -0.736607
N -1.239457 -1.064089 -1.006662
C 2.202683 1.477160 -0.078999
C 2.279043 0.188702 -0.961503
C 3.665045 1.652712 0.416654
C 4.178248 0.202470 0.504001
C 3.869615 -0.455010 1.856800
C -0.147010 -0.205001 -1.130857
C 1.250173 -2.016322 -0.244360
C 0.169002 -2.854320 -0.120418
C -2.588087 -0.533732 -1.391887
C -1.168612 -2.423408 -0.503648
C -3.304377 0.160280 -0.237416
C -3.216362 1.566725 -0.078348
C -4.079719 -0.595090 0.680245
C -3.890309 2.209369 0.984782
C -4.752274 0.048182 1.743108
C -4.659724 1.451511 1.898169
H 1.515515 1.308276 0.774715
H 2.295100 0.454603 -2.034611
H 3.699585 2.172051 1.396403
H 5.253318 0.135708 0.276734
H 2.803458 -0.308534 2.137103
H 4.505389 0.032019 2.626701
H 0.962772 2.407165 -1.293868
H 3.800747 2.979260 -1.046611
H 2.275282 -2.290414 0.024053
H 0.282362 -3.868534 0.262697
H -3.161652 -1.410050 -1.734552
H -2.425754 0.163797 -2.228632
H 4.178268 -2.303701 2.624955
H -2.614746 2.148906 -0.785618
H -4.143136 -1.682105 0.555997
H -3.820135 3.297199 1.097623
H -5.351380 -0.542345 2.445416
H -5.185900 1.950201 2.720192


