%chk=000011022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011022

0 1
 O   0.8941000       2.897400     -0.4153000    
 O    5.714600      -1.294500     -0.8840000    
 O   -6.813300      -1.417900      0.7666000    
 O   -2.639800      0.3111000      -2.479400    
 O    6.527500      -2.144600       1.093900    
 C   0.6395000       1.587800      0.1191000    
 C    1.638300      0.5855000     -0.5264000    
 C  -0.8522000       1.243800     -0.1386000    
 C   -1.208600     -0.2387000      0.1340000    
 C    2.972300      0.9982000      0.1644000    
 C    1.238000     -0.8725000     -0.1907000    
 C    1.067400       1.604700       1.600600    
 C   -2.705300     -0.5621000     -0.2267000    
 C  -0.2100000      -1.191200     -0.5520000    
 C    2.573100       1.308000       1.615000    
 C   -1.804000       2.171700      0.6468000    
 C    1.754400      0.7562000      -2.054400    
 C   -3.663200      0.5369000      0.2117000    
 C   -3.106600      -1.923200      0.4026000    
 C    4.105200      2.6400000E-02  6.8099998E-02
 C   -3.237800       1.746400      0.6129000    
 C   -5.138200      0.2164000      0.1906000    
 C   -4.604000      -2.231300      0.3412000    
 C   -2.865700     -0.6333000      -1.730100    
 C   -5.435600      -1.091600      0.9172000    
 C    4.677300     -0.3720000      -1.234100    
 C    4.725700     -0.5851000       1.073500    
 C    5.757100      -1.432600      0.4732000    
 H   -1.034100       1.453600      -1.198900    
 H   -1.101100     -0.3971000       1.217500    
 H    3.327100       1.941700     -0.2762000    
 H    1.375300      -1.079500      0.8779000    
 H    1.889700      -1.581000     -0.7162000    
 H   0.5474000      0.8394000       2.186300    
 H   0.8738000       2.575100       2.071100    
 H  -0.3197000      -1.151800      -1.641200    
 H  -0.4115000      -2.226500     -0.2563000    
 H    3.136400       2.168400       1.994900    
 H    2.730300      0.4855000       2.318800    
 H   -1.730800       3.186300      0.2368000    
 H   -1.510000       2.234800       1.700400    
 H    2.316100       1.656400      -2.326300    
 H    2.233200     -9.5500000E-02  -2.540900    
 H   0.7657000      0.8440000      -2.517600    
 H   -2.803500      -1.939300       1.458300    
 H   -2.576100      -2.748500     -8.7099999E-02
 H   -3.961600       2.489700      0.9381000    
 H   0.5595000       2.930600      -1.326900    
 H   -5.736400       1.018500      0.6415000    
 H   -5.483300      0.1516000     -0.8497000    
 H   -4.912000      -2.433800     -0.6924000    
 H   -4.811600      -3.157100      0.8920000    
 H   -3.183700      -1.602500      -2.150600    
 H   -5.232600     -0.9778000       1.989100    
 H    3.981300     -0.9146000      -1.871800    
 H    5.114500      0.4706000      -1.777000    
 H    4.570500     -0.5183000       2.135300    
 H   -6.974100      -2.245100       1.251900    


%chk=000011022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000011022

0 1
O 0.874690 2.890545 -0.500116
O 6.163197 -0.778273 -1.011576
O -6.997783 -1.259632 0.559875
O -2.856264 -0.002417 -2.543482
O 6.467994 -2.586420 0.455876
C 0.623009 1.549764 0.104139
C 1.631232 0.502667 -0.503007
C -0.877014 1.196317 -0.112973
C -1.236463 -0.270588 0.252408
C 2.980100 0.990994 0.168829
C 1.229199 -0.917529 -0.011954
C 1.079287 1.716072 1.580438
C -2.742379 -0.600198 -0.130626
C -0.227879 -1.272686 -0.372713
C 2.578079 1.291057 1.642035
C -1.791936 2.186910 0.645163
C 1.705831 0.549784 -2.046118
C -3.692707 0.553001 0.222825
C -3.196380 -1.897726 0.612674
C 4.161017 0.080214 -0.012907
C -3.245491 1.782081 0.587925
C -5.179147 0.248884 0.106495
C -4.694596 -2.214377 0.398518
C -2.780997 -0.877966 -1.651204
C -5.572172 -1.034460 0.857843
C 5.166553 0.303939 -1.131071
C 4.558827 -1.016761 0.697470
C 5.795962 -1.596947 0.119997
H -1.093171 1.316996 -1.198207
H -1.179725 -0.371877 1.359356
H 3.201189 1.961956 -0.319892
H 1.349965 -0.989238 1.087141
H 1.917057 -1.664878 -0.450775
H 0.462356 1.097477 2.256038
H 0.938088 2.768941 1.874146
H -0.332698 -1.282071 -1.475306
H -0.444854 -2.300999 -0.027289
H 3.218764 2.081401 2.068298
H 2.710298 0.395443 2.275035
H -1.664015 3.203092 0.226507
H -1.475047 2.263812 1.706656
H 2.171193 1.489806 -2.395611
H 2.311069 -0.289748 -2.435086
H 0.709422 0.470243 -2.518347
H -2.998537 -1.765786 1.695250
H -2.586778 -2.759986 0.279163
H -3.985025 2.552507 0.850262
H 0.529863 2.882269 -1.430521
H -5.779124 1.096392 0.481336
H -5.460009 0.101164 -0.957046
H -4.906709 -2.406720 -0.672800
H -4.963249 -3.136772 0.951884
H -2.695433 -1.962061 -1.932417
H -5.430624 -0.883911 1.952331
H 4.713594 0.250481 -2.138443
H 5.690129 1.273410 -1.026915
H 4.089712 -1.454854 1.577339
H -7.302568 -2.075037 1.033653


