%chk=000170226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170226

0 1
 O    1.994900      0.4568000     -0.5955000    
 O   -1.274800     -0.8984000     -0.7163000    
 O   -2.107000       1.036000      0.3459000    
 C    1.428300     -0.3576000      0.4332000    
 C   0.1016000      0.2726000      0.8803000    
 C  -0.9520000      0.4085000     -0.2261000    
 C    2.475200     -0.5292000       1.540200    
 C    2.845300      0.7633000       2.257000    
 C    3.158900     -0.1416000      -1.142100    
 C   -1.798700      -1.753600      0.2911000    
 C   -3.151300       1.210500     -0.6025000    
 C    3.715800      0.7601000      -2.222900    
 C   -2.107500      -3.103800     -0.3197000    
 C   -4.328700       1.876200      7.7500001E-02
 H    1.213700      -1.348600      1.3000000E-02
 H   0.3016000       1.299200       1.218300    
 H  -0.2866000     -0.2297000       1.772400    
 H  -0.5753000       1.015300      -1.056900    
 H    2.038200      -1.196500       2.296300    
 H    3.378600      -1.052800       1.219800    
 H    1.985800       1.199900       2.773700    
 H    3.611700      0.5624000       3.013000    
 H    3.248300       1.504800       1.560700    
 H    2.919700      -1.124200      -1.563300    
 H    3.964500     -0.2399000     -0.4131000    
 H   -1.072500      -1.938100       1.085900    
 H   -2.712400      -1.338100      0.7277000    
 H   -2.796800       1.841900      -1.424900    
 H   -3.472100      0.2472000      -1.012200    
 H    4.616100      0.3285000      -2.669400    
 H    2.973000      0.9186000      -3.011900    
 H    3.961400       1.746600      -1.815400    
 H   -1.205800      -3.545300     -0.7573000    
 H   -2.836900      -3.001400      -1.130000    
 H   -2.508800      -3.791400      0.4302000    
 H   -4.034700       2.843300      0.4987000    
 H   -4.689600       1.263000      0.9097000    
 H   -5.150000       2.033400     -0.6274000    


%chk=000170226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170226

0 1
O 2.096181 0.591548 -0.453922
O -1.175243 -1.107220 -0.613859
O -2.038121 0.963590 0.299468
C 1.511289 -0.323426 0.555421
C 0.178645 0.327172 0.958699
C -0.854440 0.260505 -0.172821
C 2.471627 -0.562699 1.745560
C 2.868205 0.720741 2.506640
C 3.140804 -0.018388 -1.289288
C -1.724069 -1.993014 0.436490
C -3.023465 1.235774 -0.770528
C 3.481389 0.982367 -2.394876
C -2.333218 -3.203334 -0.272549
C -4.215064 1.941264 -0.124995
H 1.302084 -1.299376 0.060055
H 0.350299 1.390886 1.198182
H -0.228221 -0.155296 1.866544
H -0.454622 0.720337 -1.098130
H 1.989903 -1.283503 2.437740
H 3.385683 -1.064738 1.370628
H 2.004832 1.167414 3.032202
H 3.645999 0.507285 3.262231
H 3.263058 1.476436 1.804335
H 2.763646 -0.973698 -1.717975
H 4.042419 -0.247216 -0.680382
H -0.912077 -2.311318 1.124308
H -2.483580 -1.440314 1.024115
H -2.548093 1.875860 -1.545036
H -3.322153 0.281090 -1.247433
H 4.278087 0.582435 -3.048790
H 2.591579 1.193767 -3.012715
H 3.831190 1.933715 -1.957438
H -1.570938 -3.721968 -0.880053
H -3.150395 -2.888675 -0.944833
H -2.740344 -3.919545 0.465053
H -3.894929 2.879968 0.359403
H -4.677864 1.297664 0.643374
H -4.978980 2.181811 -0.887124


