%chk=000158124.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158124

0 1
 O   9.0000004E-02   1.127500     -0.1578000    
 O    1.698400       1.784100      -1.684400    
 O   -4.989400     -0.8980000     -0.2426000    
 C    2.616500     -0.8808000      0.1267000    
 C    3.620100      0.1148000     -0.3457000    
 C    2.335500      0.5887000      0.2446000    
 C    1.910100      -1.672500     -0.9221000    
 C    2.842900      -1.638200       1.392700    
 C    4.856900      0.3312000      0.4290000    
 C    1.355500       1.235100     -0.6471000    
 C    6.014300     -0.3518000      0.3412000    
 C    7.191300     -3.1000001E-03   1.209300    
 C    6.239100      -1.496900     -0.6053000    
 C  -0.9314000       1.728700     -0.9598000    
 C   -2.260200       1.527500     -0.2923000    
 C   -3.012300      0.3951000     -0.5835000    
 C   -2.726600       2.475400      0.6114000    
 C   -4.247200      0.2080000      3.7400000E-02
 C   -3.961600       2.288300       1.232200    
 C   -4.721900       1.154600      0.9451000    
 C   -4.399500      -2.165300      4.3299999E-02
 C   -4.271200      -2.960600      -1.247100    
 C   -5.249300      -2.891800       1.074700    
 H    3.761400      0.2278000      -1.416100    
 H    2.362900       1.018600       1.242400    
 H    1.843700      -1.152100      -1.883800    
 H    2.434900      -2.616700      -1.105600    
 H   0.8901000      -1.911200     -0.6018000    
 H    1.899600      -2.059500       1.758000    
 H    3.247000      -1.018200       2.200400    
 H    3.538100      -2.468400       1.226400    
 H    4.815300       1.152300       1.143500    
 H    6.979400      0.8350000       1.881500    
 H    8.049600      0.2764000      0.5897000    
 H    7.473300     -0.8617000       1.827600    
 H    5.362000      -1.720300      -1.219600    
 H    6.488900      -2.404500     -4.6000000E-02
 H    7.067700      -1.268800      -1.283700    
 H  -0.9348000       1.272300      -1.957700    
 H  -0.7256000       2.799800      -1.079900    
 H   -2.639300     -0.3343000      -1.297200    
 H   -2.141500       3.360900      0.8440000    
 H   -4.331000       3.024900       1.939700    
 H   -5.682900       1.013800       1.432300    
 H   -3.395800      -2.048200      0.4745000    
 H   -5.251500      -3.103500      -1.715300    
 H   -3.651900      -2.427300      -1.975100    
 H   -3.824700      -3.943000      -1.065800    
 H   -6.273000      -3.030700      0.7099000    
 H   -5.320900      -2.301900       1.994900    
 H   -4.828600      -3.871600       1.320200    


%chk=000158124-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158124

0 1
O 0.419048 1.764724 0.503313
O 0.559492 -0.052862 -0.966374
O -4.378328 -1.112517 -0.142714
C 2.263228 -1.354185 1.408928
C 3.218645 -0.751214 0.365684
C 2.064225 0.129633 0.962629
C 1.279997 -2.424197 0.938518
C 2.736933 -1.550972 2.848949
C 4.635845 -0.402734 0.640873
C 0.965352 0.550417 0.064644
C 5.666833 -0.395966 -0.257037
C 7.072466 -0.019103 0.182038
C 5.537189 -0.746584 -1.728629
C -0.712457 2.330258 -0.320837
C -2.060072 1.846024 0.168746
C -2.551157 0.588662 -0.269638
C -2.831245 2.641003 1.049060
C -3.806514 0.123342 0.191033
C -4.090330 2.172683 1.495639
C -4.580002 0.922466 1.073464
C -3.654743 -2.030339 -1.071525
C -3.842248 -1.568662 -2.527500
C -4.254660 -3.413815 -0.801778
H 2.992274 -1.070836 -0.658133
H 2.347854 0.885063 1.700594
H 0.933571 -2.236791 -0.091170
H 1.766434 -3.417459 0.971959
H 0.392592 -2.458053 1.599199
H 1.867697 -1.626109 3.528251
H 3.370547 -0.721925 3.208470
H 3.321327 -2.486473 2.936672
H 4.869301 -0.120220 1.678127
H 7.116246 0.230827 1.256357
H 7.445959 0.854277 -0.389478
H 7.784625 -0.847353 -0.007463
H 4.510465 -1.009401 -2.028750
H 6.196047 -1.600233 -1.984760
H 5.865177 0.103805 -2.359050
H -0.532652 2.047489 -1.372717
H -0.595652 3.416487 -0.183786
H -1.928601 -0.000924 -0.948649
H -2.450840 3.612790 1.383863
H -4.692872 2.784504 2.176086
H -5.548659 0.541621 1.411858
H -2.579216 -2.028684 -0.798346
H -4.914434 -1.580921 -2.791914
H -3.457886 -0.546955 -2.686576
H -3.304010 -2.247900 -3.213719
H -5.336881 -3.410958 -1.021459
H -4.115696 -3.699070 0.254846
H -3.767815 -4.172757 -1.440503


