%chk=000116544.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116544

0 1
 O   -2.227500       1.396900      0.1612000    
 O   0.4536000       2.136800      0.3263000    
 O    2.992800       1.052500     -3.5999999E-03
 O   -3.810300      0.9512000      -1.456400    
 O   0.9140000      -3.450800       1.184000    
 O   0.6784000      -1.470300      9.9900000E-02
 O    3.202700      -1.059300      -1.826800    
 C   -2.554100      -1.385300      0.8409000    
 C   -2.116600      -2.134400     -0.4245000    
 C   -3.685200     -0.3936000      0.5672000    
 C   -1.039600      -3.181600     -0.1377000    
 C   -3.284500      0.7189000     -0.3765000    
 C   -1.713400       2.468900     -0.6357000    
 C  -0.5522000       3.115600      9.4700001E-02
 C    1.569700       2.689000       1.010300    
 C    2.593900       1.596200       1.248800    
 C   0.2513000      -2.582600      0.3754000    
 C    3.971500      3.5500001E-02  0.1585000    
 C    4.355600     -0.5036000      -1.206000    
 H   -1.701400     -0.8613000       1.286800    
 H   -2.903000      -2.111100       1.585500    
 H   -2.984500      -2.636100     -0.8691000    
 H   -1.740700      -1.422300      -1.168600    
 H   -4.546300     -0.9150000      0.1331000    
 H   -4.028300      6.3500002E-02   1.502400    
 H   -1.420600      -3.893400      0.6039000    
 H  -0.8058000      -3.737100      -1.052300    
 H   -2.502000       3.207600     -0.8158000    
 H   -1.365900       2.056500      -1.590200    
 H  -0.8956000       3.504800       1.060200    
 H  -0.1450000       3.937500     -0.5043000    
 H    2.009500       3.478000      0.3893000    
 H    1.251000       3.115900       1.967500    
 H    3.463000       2.007700       1.773800    
 H    2.148100      0.7981000       1.853900    
 H    3.549300     -0.7707000      0.7697000    
 H    4.856100      0.4448000      0.6585000    
 H    4.726700      0.3009000      -1.848500    
 H    5.118800      -1.281900      -1.115500    
 H    1.757000      -3.071900       1.512800    
 H    3.481200      -1.395200      -2.695800    


%chk=000116544-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116544

0 1
O -2.516550 1.490787 -0.120432
O 0.458483 1.536653 0.156319
O 3.356714 0.948384 -0.346170
O -2.464984 0.690791 -2.318152
O -1.279050 -2.744823 3.453929
O 0.388698 -1.396250 2.575164
O 3.692896 1.287534 -3.103716
C -2.854524 -1.369982 0.560314
C -1.491238 -1.916883 0.078782
C -3.618324 -0.597026 -0.548064
C -0.854011 -2.924393 1.078436
C -2.818531 0.560801 -1.126044
C -1.609732 2.617581 -0.471836
C -0.447732 2.627640 0.510468
C 1.511466 1.343726 1.166495
C 2.485661 0.303248 0.642385
C -0.491336 -2.270103 2.394966
C 4.228005 0.010342 -1.070126
C 4.782491 0.814401 -2.248408
H -2.706716 -0.700439 1.427693
H -3.495706 -2.207144 0.900516
H -1.621483 -2.440679 -0.888030
H -0.791206 -1.077576 -0.096405
H -3.871238 -1.267544 -1.387259
H -4.560376 -0.197756 -0.127450
H -1.540036 -3.766470 1.267774
H 0.079772 -3.323243 0.640138
H -2.205665 3.542882 -0.383544
H -1.258188 2.488900 -1.510210
H -0.827736 2.506246 1.548887
H 0.079077 3.607025 0.444315
H 2.049798 2.298368 1.351422
H 1.059512 0.981282 2.111840
H 3.091643 -0.100641 1.481375
H 1.920777 -0.534431 0.183825
H 3.630355 -0.850348 -1.440620
H 5.041055 -0.365524 -0.410682
H 5.382274 1.665376 -1.861134
H 5.424999 0.181770 -2.884182
H -1.014920 -2.281218 4.295754
H 2.997304 1.648035 -2.491033


