%chk=000041917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041917

0 1
 O    1.488000     -0.4878000     -0.2797000    
 O   -1.063600      -1.150300     -0.5527000    
 O   0.2583000       4.160200      0.2325000    
 O    2.686000       3.378700      0.3096000    
 O    5.964100      -2.046600     -0.1595000    
 O   -5.525700       1.420300     -0.5470000    
 O   -3.527700     -0.4109000     -0.6394000    
 O   -2.231000       4.716100      0.1221000    
 O   -1.232000      -1.407700       1.757700    
 C   0.9080000       1.869300     -1.6600000E-02
 C   0.5699000      0.5319000     -0.2148000    
 C   -1.770900       1.149000     -0.3067000    
 C   -1.426400       2.488100     -0.1078000    
 C    3.295400       1.118300      5.9599999E-02
 C  -0.7715000      0.1696000     -0.3601000    
 C  -8.3099999E-02   2.853700      3.8199998E-02
 C    2.328300       2.224000      0.1332000    
 C    2.818100     -0.1760000     -0.1430000    
 C    4.665900       1.357600      0.1892000    
 C   -3.185000      0.7523000     -0.4620000    
 C   -2.472000       3.527500     -4.9899999E-02
 C    3.718300      -1.240800     -0.2166000    
 C    5.560500      0.2898000      0.1145000    
 C    5.087900      -1.007000     -8.8200003E-02
 C   -4.212700       1.819800     -0.3986000    
 C   -3.876400       3.097600     -0.2084000    
 C    5.257400       2.712700      0.4078000    
 C   -1.278400      -1.865700      0.6258000    
 C   -1.589900      -3.288800      0.3367000    
 C    5.413600      -3.346200     -0.3681000    
 C   -6.098700       1.105900      0.7070000    
 C   -2.413600      -3.979600       1.201500    
 C   -1.046200      -3.875100     -0.7876000    
 C   -2.706400      -5.316100      0.9301000    
 C   -1.339200      -5.211500      -1.059000    
 C   -2.169200      -5.932000     -0.2001000    
 H    3.293500      -2.226800     -0.3751000    
 H    6.631600      0.4510000      0.2124000    
 H   -4.636100       3.871500     -0.1650000    
 H    5.031000       3.377700     -0.4319000    
 H    4.902900       3.146400       1.348400    
 H    6.350700       2.673100      0.4814000    
 H  -0.5162000       4.698000      0.4536000    
 H    4.772000      -3.650400      0.4658000    
 H    6.251400      -4.050500     -0.3993000    
 H    4.901700      -3.416500      -1.333900    
 H   -5.560800      0.2897000       1.201800    
 H   -7.128100      0.7756000      0.5380000    
 H   -6.130800       1.984500       1.360800    
 H   -2.840800      -3.509700       2.082400    
 H  -0.3865000      -3.339300      -1.463500    
 H   -3.353400      -5.876900       1.598300    
 H  -0.9186000      -5.692400      -1.937300    
 H   -2.396800      -6.972700     -0.4112000    


%chk=000041917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041917

0 1
O 1.537577 -0.344910 -0.094749
O -0.955285 -1.083844 -0.238005
O 0.307611 4.363995 0.113890
O 2.908658 3.604588 -0.075823
O 6.036658 -2.111865 0.003765
O -5.575354 1.746666 0.032483
O -3.588124 -0.327976 -0.272243
O -2.095920 4.945131 0.170140
O -1.831598 -1.331719 1.924494
C 1.038761 2.058050 -0.020470
C 0.631969 0.705117 -0.069032
C -1.760997 1.263057 -0.033585
C -1.388974 2.643918 0.035995
C 3.434266 1.244101 -0.021381
C -0.738471 0.292666 -0.086268
C -0.008965 3.049454 0.042831
C 2.499380 2.403529 -0.039165
C 2.922190 -0.081058 -0.052193
C 4.870571 1.391569 0.020707
C -3.205441 0.872477 -0.096590
C -2.427504 3.680729 0.100761
C 3.715889 -1.241412 -0.048535
C 5.673005 0.237868 0.027940
C 5.113900 -1.068698 -0.007230
C -4.219834 1.980211 0.027910
C -3.823289 3.301262 0.102616
C 5.555265 2.743417 0.063290
C -1.582978 -1.833035 0.812721
C -1.819912 -3.233782 0.386466
C 5.517153 -3.485175 -0.025503
C -6.195276 0.403998 0.168943
C -2.360712 -4.133171 1.343035
C -1.529924 -3.683038 -0.928099
C -2.609411 -5.473529 0.986519
C -1.782269 -5.025432 -1.279277
C -2.320702 -5.921687 -0.325125
H 3.224619 -2.215857 -0.074748
H 6.762893 0.325428 0.061755
H -4.568761 4.097573 0.172374
H 5.310324 3.347924 -0.826643
H 5.210112 3.345165 0.921290
H 6.649425 2.613916 0.125733
H -0.611539 4.898904 0.156523
H 4.888640 -3.691341 0.861582
H 6.408338 -4.128311 -0.009326
H 4.936310 -3.670799 -0.948958
H -6.029419 -0.196736 -0.737394
H -7.262487 0.633998 0.307201
H -5.790729 -0.131573 1.042579
H -2.578935 -3.763232 2.350357
H -1.117364 -2.979296 -1.655362
H -3.026995 -6.167118 1.723992
H -1.563458 -5.373869 -2.294276
H -2.516085 -6.963649 -0.602516


