%chk=000178297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178297

0 1
 O    2.102500     -0.9310000       1.048700    
 O    1.717000       1.346700       1.379700    
 O   -3.880900     -0.5934000      -1.225500    
 O   -3.009000       2.095500     -0.7466000    
 O    4.982900      2.9500000E-02  -1.983400    
 O    3.364200      0.6709000       2.851700    
 O   -1.357200       3.652000      -1.177500    
 C  -7.7600002E-02 -0.1172000      0.4804000    
 C   -1.050500      -1.253000       1.017200    
 C  -0.9173000       1.225900      0.2508000    
 C   0.6571000     -0.5228000     -0.8087000    
 C    1.127700      5.0600000E-02   1.430600    
 C   -2.290000      -1.267800      0.1977000    
 C   -2.056700       1.045500     -0.8147000    
 C  -0.5539000      -2.714400       1.136100    
 C    1.921300      -1.251800     -0.3445000    
 C   -2.742200     -0.2393000     -0.5768000    
 C   -3.157600      -2.356500     -1.1000000E-03
 C   -1.708600      -3.651500       1.584300    
 C   -1.466200       1.803600       1.571200    
 C   -2.891000      -3.696000      0.5837000    
 C    3.125700     -0.9545000      -1.198000    
 C   -4.134700      -1.890600     -0.8571000    
 C    3.557700      -1.672500      -2.335400    
 C    4.022500      7.0299998E-02  -1.022800    
 C    2.836300       1.517400       2.143300    
 C   -2.522900       3.359600     -0.9480000    
 C    4.692700      -1.034000      -2.778100    
 C    3.343500       2.919400       1.990900    
 C   -3.634900       4.359500     -0.8481000    
 H   -1.353700     -0.9541000       2.031800    
 H  -0.2063000       1.968400     -0.1292000    
 H   0.9305000      0.3719000      -1.383800    
 H   6.1600000E-02  -1.148000      -1.482700    
 H   0.8333000     -0.1442000       2.469000    
 H   -1.622500       1.019400      -1.822700    
 H   0.2637000      -2.778400       1.861600    
 H  -0.1856000      -3.084500      0.1735000    
 H    1.764600      -2.335100     -0.3828000    
 H   -2.078400      -3.308100       2.559400    
 H   -1.324600      -4.667300       1.733000    
 H  -0.7043000       1.806300       2.356000    
 H   -1.789600       2.842200       1.462800    
 H   -2.319900       1.229600       1.944700    
 H   -3.784000      -4.085600       1.084500    
 H   -2.640900      -4.388900     -0.2290000    
 H   -5.007100      -2.336000      -1.312900    
 H    3.102900      -2.545400      -2.781200    
 H    4.121700      0.8737000     -0.3098000    
 H    5.373000      -1.202700      -3.599900    
 H    2.603900       3.623700       2.379500    
 H    3.555900       3.126500      0.9391000    
 H    4.270400       3.033600       2.560200    
 H   -4.081500       4.317000      0.1484000    
 H   -4.385400       4.156300      -1.616000    
 H   -3.234600       5.364600      -1.008300    


%chk=000178297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178297

0 1
O 2.114736 -1.216449 1.004587
O 1.918993 1.153890 1.190354
O -3.872340 -0.510601 -1.138549
O -2.833416 2.259699 -0.506200
O 5.282180 -0.316256 -1.716189
O 2.286675 1.446383 3.484444
O -1.553927 3.393120 -2.100703
C -0.025346 -0.244280 0.530859
C -1.015651 -1.324391 1.116444
C -0.774976 1.138751 0.423188
C 0.610059 -0.670408 -0.834497
C 1.237175 -0.162309 1.429362
C -2.286981 -1.260594 0.314558
C -1.927503 1.069465 -0.637291
C -0.574474 -2.814142 1.180332
C 1.921863 -1.427405 -0.469804
C -2.709174 -0.175101 -0.419909
C -3.196821 -2.355960 0.062857
C -1.767594 -3.690684 1.656114
C -1.297458 1.642033 1.791806
C -2.942559 -3.734500 0.632926
C 3.149381 -0.984524 -1.225745
C -4.155588 -1.861014 -0.807169
C 3.280903 -0.863061 -2.669054
C 4.379238 -0.651048 -0.688384
C 2.461955 1.821484 2.304467
C -2.536681 3.357545 -1.325079
C 4.577883 -0.457218 -2.924939
C 3.250412 3.027507 1.848332
C -3.567329 4.447111 -1.127477
H -1.229010 -1.019944 2.164191
H -0.037861 1.869916 0.045397
H 0.850652 0.230008 -1.426560
H -0.075615 -1.302936 -1.423474
H 1.078009 -0.273645 2.513977
H -1.503500 1.119921 -1.660187
H 0.283254 -2.934685 1.864950
H -0.248667 -3.163105 0.180140
H 1.791026 -2.521052 -0.577834
H -2.136507 -3.289914 2.621966
H -1.419480 -4.722128 1.851103
H -0.493363 1.639093 2.548983
H -1.668822 2.676126 1.701583
H -2.136465 1.030351 2.167359
H -3.847202 -4.148451 1.117519
H -2.683085 -4.431911 -0.188911
H -5.048483 -2.269419 -1.271705
H 2.508227 -1.047564 -3.414084
H 4.760126 -0.598239 0.325542
H 5.138804 -0.230404 -3.826751
H 2.606592 3.702741 1.258184
H 4.074183 2.706572 1.187046
H 3.654928 3.562428 2.719445
H -3.575670 4.777204 -0.074080
H -4.574470 4.057671 -1.355249
H -3.338236 5.299326 -1.782989


