%chk=000163959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163959

0 1
 O    2.466900     -0.4706000      0.2494000    
 O    1.240300       1.506500      7.9200000E-02
 O    6.008000       1.513100     -0.3810000    
 O    3.452600       2.750800      -1.162500    
 O    5.866800      -1.365300     -0.7597000    
 O    4.385400      -3.410500      0.1880000    
 O    2.697500      -2.668600       1.528400    
 O  -0.2000000     -0.2268000     -0.3967000    
 C    4.828900      0.8078000     -0.7713000    
 C    3.594100       1.596700     -0.3345000    
 C    4.867000     -0.5746000     -0.1191000    
 C    2.324600      0.7547000     -0.4646000    
 C    3.522200      -1.276500     -0.2622000    
 C    3.464400      -2.501600      0.5917000    
 C   -1.038600       1.822900      0.6344000    
 C   1.6799999E-02  0.8920000      5.1100001E-02
 C   -2.432600       1.224300      0.5401000    
 C   -6.333100     -0.4490000      0.2766000    
 C   -6.520200      -1.461400     -0.8803000    
 C   -4.965100      0.1375000      0.3686000    
 C  -0.6754000       2.223500       2.067000    
 C   -2.710100      6.1700001E-02   1.231800    
 C   -3.382300       1.860400     -0.2346000    
 C   -3.989400     -0.4872000       1.144900    
 C   -4.661700       1.311400     -0.3213000    
 C   -5.682700      -2.718000     -0.6298000    
 C   -6.144300     -0.8530000      -2.233800    
 H    4.862400      0.7304000      -1.865100    
 H    3.712200       1.952900      0.6965000    
 H    5.153800     -0.4813000      0.9357000    
 H    2.103900      0.5554000      -1.522500    
 H    3.295900      -1.569100      -1.295100    
 H    6.772000      0.9822000     -0.6646000    
 H    4.275900       3.263300      -1.088900    
 H   -1.011700       2.729500      1.3900000E-02
 H    5.624300      -1.456200      -1.697100    
 H   -6.597000     -0.9270000       1.229500    
 H   -7.064300      0.3620000      0.1565000    
 H   -7.578400      -1.750300     -0.9052000    
 H  -0.5375000       1.348200       2.711700    
 H   -1.456200       2.851400       2.510100    
 H   0.2610000       2.791500       2.092000    
 H   -1.962200     -0.4362000       1.841300    
 H   -3.158800       2.775100     -0.7752000    
 H   -4.212400      -1.399100       1.692300    
 H   -5.412600       1.813000     -0.9258000    
 H    4.364500      -4.222500      0.7380000    
 H   -5.934100      -3.489100      -1.366800    
 H   -4.608300      -2.529300     -0.7169000    
 H   -5.884400      -3.135000      0.3624000    
 H   -5.069900     -0.6668000      -2.328000    
 H   -6.681700      8.5400000E-02  -2.405100    
 H   -6.421300      -1.540000      -3.041600    


%chk=000163959-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163959

0 1
O 3.141289 0.066093 0.992438
O 0.925870 0.637624 0.642702
O 3.972469 0.491395 -3.085508
O 1.257215 0.178043 -2.217854
O 5.903824 -0.826678 -1.430538
O 6.652520 -0.862935 1.188610
O 5.182823 -0.124313 2.834221
O 0.168692 -1.290538 1.738885
C 3.655430 -0.173489 -1.820673
C 2.359643 0.479494 -1.311981
C 4.817145 -0.062742 -0.821872
C 2.010503 -0.116478 0.057338
C 4.339422 -0.645528 0.545929
C 5.365330 -0.494509 1.668139
C -0.997610 0.874144 2.085884
C 0.053494 -0.070481 1.512656
C -2.360401 0.626301 1.421593
C -6.313367 -0.003697 -0.388868
C -6.291033 -0.419048 -1.900804
C -4.948217 0.217977 0.247298
C -1.064392 0.693860 3.627722
C -2.975301 -0.650913 1.452103
C -3.050952 1.694179 0.799776
C -4.247326 -0.846417 0.874611
C -4.326337 1.493170 0.227197
C -5.589741 -1.779040 -2.124277
C -5.671534 0.675749 -2.800454
H 3.468785 -1.256565 -1.997698
H 2.515668 1.573123 -1.209255
H 5.098060 1.002028 -0.679550
H 1.742237 -1.190954 -0.012104
H 4.141109 -1.734021 0.406013
H 4.818453 0.102152 -3.426539
H 1.545073 0.447992 -3.128383
H -0.673958 1.901713 1.848941
H 6.641975 -0.895894 -0.766295
H -6.855276 -0.792741 0.169350
H -6.914705 0.922911 -0.302043
H -7.356666 -0.535024 -2.193634
H -1.334520 -0.343934 3.886028
H -1.829193 1.370332 4.046212
H -0.091357 0.925292 4.096862
H -2.451884 -1.493705 1.918230
H -2.590086 2.689120 0.765624
H -4.708769 -1.840767 0.913069
H -4.848052 2.337951 -0.238901
H 7.314804 -0.792708 1.927994
H -5.660587 -2.083826 -3.185093
H -4.518282 -1.720599 -1.859623
H -6.050181 -2.576441 -1.510287
H -4.602539 0.825981 -2.563132
H -6.189621 1.645284 -2.671670
H -5.744848 0.390677 -3.866590


