%chk=000037058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037058

0 1
 O   -2.524300      0.2856000       1.511500    
 O   -1.456700      -3.381200     -0.3404000    
 O    3.425700      -2.887400      -2.031200    
 O   -3.228100     -0.6811000      -1.850600    
 O   -4.952900      0.7341000      -1.417500    
 C  -0.4039000     -0.7229000       1.915800    
 C   -1.902700     -0.8274000       2.177100    
 C  -0.2003000      -1.548700      0.6369000    
 C   -1.123100      -2.744200      0.8810000    
 C   -2.366700      -2.138100       1.539200    
 C  -0.1781000      0.7631000       1.766900    
 C   -1.518700       1.215500       1.291400    
 C    1.227300      -1.932900      0.4212000    
 C   -1.758800       2.367100      0.6573000    
 C    1.923000      -1.630100     -0.6846000    
 C    3.358800      -2.019900     -0.8978000    
 C   -3.117300       2.800900      0.1880000    
 C    4.267900     -0.8171000      -1.184800    
 C   -3.154000       2.957000      -1.335500    
 C    4.221100      0.2506000     -8.7800004E-02
 C    5.066200       1.488000     -0.4083000    
 C   -2.816500       1.658500      -2.062800    
 C    5.078400       2.525200      0.7154000    
 C   -3.787500      0.5497000      -1.743200    
 C    5.921200       3.735700      0.3429000    
 H   0.1770000      -1.146000       2.745000    
 H   -2.152200     -0.7725000       3.242700    
 H  -0.5628000     -0.9974000     -0.2430000    
 H  -0.6583000      -3.482500       1.546300    
 H   -3.177700      -1.982000      0.8192000    
 H   -2.740200      -2.827900       2.304300    
 H   3.5599999E-02   1.216200       2.741300    
 H   0.6324000       1.004900       1.073500    
 H    1.717700      -2.489300       1.216800    
 H   -2.102900      -4.079000     -0.1378000    
 H  -0.9358000       3.056400      0.4837000    
 H    1.437700      -1.079100      -1.486900    
 H    3.754000      -2.571200     -3.6300000E-02
 H   -3.907100       2.124200      0.5296000    
 H   -3.339400       3.773300      0.6446000    
 H    3.986000     -0.3672000      -2.146500    
 H    5.298500      -1.169700      -1.319500    
 H   -4.151900       3.303700      -1.630600    
 H   -2.445400       3.734600      -1.647100    
 H    4.568000     -0.1909000      0.8547000    
 H    3.189900      0.5829000      7.7799998E-02
 H    2.889100      -3.674100      -1.832300    
 H    4.686000       1.951500      -1.327200    
 H    6.096100       1.172300     -0.6164000    
 H   -2.856500       1.824400      -3.145200    
 H   -1.800000       1.330500      -1.820900    
 H    4.054100       2.850200      0.9310000    
 H    5.476500       2.074800       1.631800    
 H    6.959300       3.446800      0.1503000    
 H    5.528500       4.226400     -0.5534000    
 H    5.917400       4.465200       1.158800    
 H   -3.866800      -1.394000      -1.635800    


%chk=000037058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037058

0 1
O -2.685180 0.537346 2.068004
O -1.740480 -2.865489 -0.511338
O 3.198803 -2.532955 -2.355843
O -2.142906 -0.725263 -2.015000
O -4.254153 -0.523770 -1.071835
C -0.451550 -0.432055 2.001881
C -1.916833 -0.677712 2.482513
C -0.314764 -1.234365 0.669147
C -1.292458 -2.428519 0.841052
C -2.457442 -1.921378 1.733730
C -0.384010 1.106469 1.790308
C -1.812152 1.434302 1.386247
C 1.100483 -1.643382 0.344019
C -2.305612 2.340051 0.501825
C 1.772802 -1.300010 -0.785867
C 3.184428 -1.743318 -1.095794
C -3.771829 2.423388 0.125847
C 4.167571 -0.584383 -1.339389
C -4.037978 2.439909 -1.409552
C 4.470409 0.250970 -0.076495
C 5.500512 1.372114 -0.339981
C -3.219291 1.412591 -2.227758
C 5.811200 2.224723 0.911504
C -3.293437 -0.014951 -1.706629
C 6.853113 3.331798 0.641701
H 0.283741 -0.782087 2.748325
H -2.018475 -0.748140 3.578611
H -0.707042 -0.603710 -0.151923
H -0.771818 -3.287423 1.311320
H -3.304456 -1.600867 1.098834
H -2.818640 -2.699963 2.428570
H -0.115373 1.612646 2.738054
H 0.352273 1.395982 1.022171
H 1.611682 -2.265566 1.099592
H -2.430068 -3.568576 -0.425521
H -1.595466 3.034226 0.033973
H 1.279300 -0.694196 -1.560942
H 3.559727 -2.374606 -0.258348
H -4.295314 1.561673 0.573991
H -4.232686 3.335793 0.558319
H 3.758969 0.063157 -2.140012
H 5.105009 -1.024476 -1.732528
H -5.118707 2.265384 -1.567830
H -3.809558 3.443351 -1.821589
H 4.855906 -0.414668 0.724862
H 3.532460 0.696979 0.313655
H 2.455784 -3.188918 -2.318664
H 5.125793 2.033944 -1.148760
H 6.442154 0.923067 -0.719349
H -3.578888 1.406063 -3.276960
H -2.153063 1.693402 -2.266520
H 4.871378 2.681890 1.283695
H 6.176356 1.561657 1.722554
H 7.810756 2.897928 0.296986
H 6.499382 4.026421 -0.143640
H 7.058977 3.926401 1.550797
H -2.102542 -1.637379 -1.541418


