%chk=000159460.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159460

0 1
 O   -4.548000      0.2781000      0.6804000    
 O   -7.413700       2.556700      0.7726000    
 O   -8.481000      0.1903000     -0.4988000    
 O   -4.025500      -1.551400     -0.6701000    
 O   -6.411400      -1.126200      -2.131200    
 O   -3.428800       2.297600       2.172300    
 O    2.091800      7.7000000E-03 -0.3917000    
 O    7.517700      0.9431000      5.3100001E-02
 O    5.827800       2.864900     -0.9916000    
 O    6.526100      -1.460200      0.8835000    
 O    4.406400      -2.955300       1.177100    
 C   -6.746200       1.298600      0.7221000    
 C   -7.110600      0.5849000     -0.5798000    
 C   -5.235100       1.523600      0.8137000    
 C   -6.237000     -0.6509000     -0.7966000    
 C   -4.756800     -0.3281000     -0.5929000    
 C   -4.834600       2.128600       2.155500    
 C   -2.670400      -1.466200     -0.5042000    
 C   -2.057900      -2.156400      0.5372000    
 C   -1.915100     -0.6906000      -1.377900    
 C   8.6199999E-02  -1.293900     -0.1665000    
 C  -0.6759000      -2.070100      0.7065000    
 C  -0.5332000     -0.6042000      -1.208800    
 C    1.549400      -1.202800      1.2000000E-02
 C    4.294200     -0.7781000      0.2652000    
 C    3.444800      0.1932000     -0.2618000    
 C    2.261100      -2.211400      0.5397000    
 C    3.720900      -2.059900      0.7031000    
 C    5.665200     -0.5339000      0.3744000    
 C    3.963100       1.417900     -0.6836000    
 C    6.180900      0.6919000     -4.8700001E-02
 C    5.331900       1.665800     -0.5764000    
 C    7.973100       1.537900       1.265700    
 C    6.240900       2.958800      -2.353400    
 H   -7.100200      0.7053000       1.574100    
 H   -7.034100       1.272100      -1.431700    
 H   -4.888000       2.199300      2.0099999E-02
 H   -6.544800      -1.460500     -0.1230000    
 H   -4.419100      0.3471000      -1.390300    
 H   -5.101500       1.469300       2.988100    
 H   -5.301000       3.105000       2.315100    
 H   -7.097700       3.094700      2.6600000E-02
 H   -8.731100     -0.1857000      -1.359400    
 H   -7.334900      -1.414500      -2.223500    
 H   -3.025600       1.425400       2.021900    
 H   -2.649100      -2.757400       1.222500    
 H   -2.377200     -0.1627000      -2.206900    
 H  -0.2344000      -2.604000       1.543500    
 H   3.8300000E-02 -2.4000001E-03  -1.911100    
 H    1.836800      -3.161500      0.8428000    
 H    3.302800       2.177800      -1.094200    
 H    6.052000      -2.265100       1.141400    
 H    7.754600      0.8896000       2.120000    
 H    7.510000       2.518900       1.411400    
 H    9.056300       1.670500       1.196400    
 H    7.043100       2.244400      -2.563400    
 H    6.618800       3.969900      -2.527800    
 H    5.394100       2.781000      -3.024000    


%chk=000159460-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159460

0 1
O -4.903713 0.693145 0.868828
O -7.967469 2.541315 -0.181518
O -8.653880 -0.194659 -0.780227
O -4.072204 -1.439812 0.288896
O -6.390348 -1.870524 -1.446941
O -4.146855 3.267471 1.713780
O 2.135482 0.082230 -0.083475
O 7.675070 1.122477 -0.449949
O 5.701338 3.188804 -0.720638
O 6.725907 -1.579525 -0.043794
O 4.760992 -3.142481 0.309126
C -7.197170 1.389931 0.283618
C -7.257431 0.243182 -0.738162
C -5.741758 1.861300 0.463875
C -6.314594 -0.903341 -0.348908
C -4.893276 -0.344286 -0.166768
C -5.555425 2.894923 1.576967
C -2.667534 -1.295159 0.252097
C -1.934525 -2.480816 0.493720
C -1.997903 -0.073984 0.002926
C 0.167474 -1.240878 0.190488
C -0.532634 -2.451172 0.462889
C -0.590509 -0.058808 -0.031062
C 1.640668 -1.209140 0.138123
C 4.434344 -0.782534 -0.040091
C 3.527412 0.300525 -0.179701
C 2.499277 -2.287046 0.272442
C 3.937720 -2.134818 0.190503
C 5.841372 -0.527337 -0.152167
C 3.962245 1.603504 -0.434647
C 6.313261 0.797741 -0.358397
C 5.355462 1.850287 -0.530780
C 8.576170 0.579402 0.596346
C 6.740578 3.535810 -1.719005
H -7.594052 1.012575 1.251189
H -6.947355 0.626284 -1.735863
H -5.358534 2.271848 -0.495046
H -6.630632 -1.356866 0.612861
H -4.496235 0.071020 -1.121879
H -5.961219 2.490802 2.528501
H -6.096186 3.816406 1.314754
H -8.871168 2.212817 -0.426889
H -8.716891 -0.961637 -1.405111
H -5.853375 -2.667640 -1.207698
H -3.641381 2.440986 1.928133
H -2.476420 -3.408352 0.699469
H -2.554866 0.856078 -0.136804
H 0.014420 -3.379473 0.651810
H -0.065761 0.880068 -0.224575
H 2.109483 -3.292316 0.437735
H 3.262086 2.431079 -0.559656
H 6.141787 -2.439930 0.117945
H 8.598543 -0.520231 0.552537
H 8.243796 0.916899 1.596103
H 9.563082 1.006234 0.361947
H 7.699066 3.054701 -1.475085
H 6.816839 4.632059 -1.666713
H 6.405830 3.227363 -2.727361


