%chk=000082022.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082022

0 1
 O  -7.9999998E-04   1.496300     -1.2500000E-02
 O  -1.9000000E-03  -3.828400      2.1700000E-02
 C   -2.095200      0.3055000       1.463000    
 C    2.090300      0.2807000      -1.462500    
 C   -2.856500       1.268700      0.5009000    
 C    2.858200       1.261000     -0.5172000    
 C   -3.584500      0.7639000     -0.7866000    
 C    3.585000      0.7744000      0.7781000    
 C   -1.045600     -0.4944000      0.7340000    
 C    1.046700     -0.5043000     -0.7285000    
 C    0.000000      0.2682000     -3.1999999E-03
 C   -3.024500     -0.6442000       2.228200    
 C   -1.348400       1.174400       2.499900    
 C    3.026300     -0.6741000      -2.219700    
 C    1.351000       1.141500      -2.515500    
 C   -2.544300      0.7800000      -1.933600    
 C   -4.123300     -0.6677000     -0.6650000    
 C   -4.728500       1.705000      -1.207600    
 C    4.124300     -0.6585000      0.6772000    
 C    4.728100       1.721900       1.187200    
 C    2.543500      0.8062000       1.923600    
 C   -1.032900      -1.832100      0.7335000    
 C    1.033300      -1.841900     -0.7109000    
 C  -5.0000002E-04  -2.602200      1.5500000E-02
 H   -3.643900       1.720800       1.125700    
 H   -2.240000       2.136900      0.2356000    
 H    3.645900       1.700600      -1.150100    
 H    2.242800       2.133900     -0.2651000    
 H   -3.523400      -1.415900       1.643400    
 H   -3.825200     -6.9399998E-02   2.711600    
 H   -2.493400      -1.153400       3.044000    
 H   -2.065100       1.618600       3.202600    
 H  -0.7946000       2.015900       2.075600    
 H  -0.6468000      0.5793000       3.097800    
 H    3.526900      -1.437400      -1.625400    
 H    3.825100     -0.1013000      -2.708400    
 H    2.496800      -1.193900      -3.029900    
 H    2.072600       1.574700      -3.220200    
 H   0.7980000       1.989700      -2.103700    
 H   0.6503000      0.5411000      -3.108900    
 H   -1.812300     -2.4700001E-02  -1.848900    
 H   -2.016800       1.737800      -1.995500    
 H   -3.039100      0.6277000      -2.901200    
 H   -3.346400      -1.420300     -0.5374000    
 H   -4.863500     -0.7436000      0.1373000    
 H   -4.649500     -0.9483000      -1.587000    
 H   -4.363700       2.729000      -1.346100    
 H   -5.511300       1.730900     -0.4415000    
 H   -5.193300       1.384100      -2.146500    
 H    3.347600      -1.412800      0.5583000    
 H    4.865200     -0.7453000     -0.1234000    
 H    4.649500     -0.9263000       1.603600    
 H    4.362700       2.747500       1.311100    
 H    5.511700       1.737600      0.4215000    
 H    5.192100       1.414200       2.130900    
 H    1.811800      3.9999999E-04   1.849000    
 H    2.015700       1.764700       1.971400    
 H    3.037100      0.6675000       2.893800    
 H   -1.748300      -2.458400       1.250100    
 H    1.749200      -2.475100      -1.218500    


%chk=000082022-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082022

0 1
O 0.001004 1.429745 -0.011708
O -0.002465 -4.007200 0.024169
C -2.195484 0.194548 1.459821
C 2.198367 0.172248 -1.463191
C -2.988952 1.217908 0.550669
C 2.991038 1.207386 -0.566661
C -3.716358 0.827615 -0.784950
C 3.715211 0.835103 0.775884
C -1.108279 -0.593866 0.709487
C 1.109247 -0.604605 -0.703846
C 0.000852 0.156778 -0.002373
C -3.173192 -0.754372 2.207851
C -1.493816 1.050904 2.573874
C 3.176828 -0.787941 -2.195595
C 1.500192 1.013423 -2.590821
C -2.716246 0.518621 -1.932241
C -4.700427 -0.364733 -0.645137
C -4.538641 2.086842 -1.193872
C 4.701664 -0.357212 0.653514
C 4.534544 2.100792 1.170757
C 2.712864 0.539020 1.924549
C -1.065099 -1.966251 0.700770
C 1.063998 -1.976707 -0.677441
C -0.001018 -2.728536 0.016698
H -3.758599 1.649836 1.225208
H -2.288684 2.036898 0.303805
H 3.762921 1.628922 -1.245280
H 2.291338 2.030690 -0.333037
H -3.695001 -1.460886 1.543775
H -3.943003 -0.145909 2.715723
H -2.643339 -1.337221 2.984930
H -2.265503 1.576982 3.166180
H -0.816519 1.801256 2.137934
H -0.918385 0.403573 3.261768
H 3.698263 -1.483967 -1.520206
H 3.946944 -0.187335 -2.712211
H 2.647782 -1.382797 -2.964107
H 2.273862 1.530621 -3.188290
H 0.822238 1.770388 -2.167567
H 0.926384 0.356766 -3.271189
H -2.144195 -0.406848 -1.741632
H -1.997714 1.347210 -2.071558
H -3.263538 0.376909 -2.883805
H -4.167308 -1.324585 -0.522364
H -5.382254 -0.231496 0.215336
H -5.319686 -0.448740 -1.558619
H -3.885834 2.974764 -1.291983
H -5.316227 2.316312 -0.440748
H -5.042228 1.925667 -2.165574
H 4.170697 -1.319499 0.540577
H 5.386139 -0.233273 -0.206308
H 5.318263 -0.429214 1.569859
H 3.879996 2.988692 1.256552
H 5.313254 2.322291 0.416409
H 5.036481 1.952547 2.145358
H 2.143217 -0.390127 1.744741
H 1.992329 1.367853 2.051140
H 3.258125 0.410929 2.879195
H -1.823575 -2.576072 1.199662
H 1.821727 -2.593948 -1.168279


