%chk=000043679.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043679

0 1
 O   0.1120000      -2.527300     -0.2688000    
 O   -1.361800     -0.3430000      -1.580300    
 O    2.206500      -2.050400      -1.062600    
 O   -6.006000       1.339300      -1.201900    
 O    6.175700     -0.8905000      0.4920000    
 O   -7.070100     -0.2419000      0.8206000    
 O    6.781000       1.701800     -0.3057000    
 C  -0.7972000     -0.3733000     -0.2631000    
 C   0.7204000     -0.2479000     -0.3861000    
 C  -0.9806000      -1.776300      0.2792000    
 C   -1.508100      0.6793000      0.5746000    
 C    1.447300      0.2656000      0.8491000    
 C    1.124000      -1.682900     -0.6307000    
 C   -2.992700      0.4353000      0.6375000    
 C    2.871300      0.6458000      0.5416000    
 C   -3.819500       1.005700     -0.3199000    
 C   -3.512400     -0.3558000       1.652300    
 C    3.873300     -0.3070000      0.6604000    
 C    3.161500       1.943400      0.1444000    
 C   -5.194800      0.7801000     -0.2615000    
 C   -4.887600     -0.5813000       1.710800    
 C    5.192800      4.5200001E-02  0.3761000    
 C    4.480800       2.295600     -0.1399000    
 C   -5.728800     -1.3500000E-02  0.7540000    
 C    5.496500       1.346500     -2.4100000E-02
 C   -6.253400      0.5761000      -2.381200    
 C    6.469900      -1.668700     -0.6667000    
 H   0.9702000      0.3342000      -1.282100    
 H  -0.8936000      -1.834500       1.369300    
 H   -1.908700      -2.259700     -4.0300000E-02
 H   -1.330200       1.677900      0.1539000    
 H   -1.124100      0.7066000       1.601600    
 H    1.430600     -0.4716000       1.662900    
 H   0.9600000       1.161400       1.249900    
 H   -2.231900     -0.7750000      -1.565700    
 H   -3.408600       1.627500      -1.111100    
 H   -2.871000     -0.7968000       2.409700    
 H    3.648800      -1.316600      0.9936000    
 H    2.377900       2.689700      4.8200000E-02
 H   -5.297700      -1.199000       2.505200    
 H    4.703300       3.312700     -0.4516000    
 H   -7.504600      0.2570000      0.1076000    
 H    6.800500       2.638600     -0.5665000    
 H   -6.713000     -0.3858000      -2.132700    
 H   -5.322100      0.4150000      -2.933500    
 H   -6.943100       1.139700      -3.015500    
 H    5.592100      -2.246800     -0.9728000    
 H    7.276600      -2.363300     -0.4171000    
 H    6.802300      -1.026500      -1.488300    


%chk=000043679-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043679

0 1
O 0.206283 -2.682615 -0.314534
O -1.555176 -0.585047 -1.633763
O 2.101787 -2.052149 -1.499837
O -6.443244 0.836386 -1.087888
O 6.155260 -0.795588 0.991495
O -7.331385 -0.632568 0.965012
O 6.872644 1.471537 -0.628494
C -0.953153 -0.558394 -0.283403
C 0.551337 -0.305581 -0.564976
C -0.944104 -1.991793 0.318364
C -1.683595 0.478109 0.615203
C 1.345981 0.331141 0.623484
C 1.080928 -1.714654 -0.887871
C -3.178295 0.204725 0.727754
C 2.798815 0.635585 0.287571
C -4.068028 0.694906 -0.271815
C -3.707523 -0.560235 1.795966
C 3.844955 -0.199349 0.741390
C 3.129811 1.761130 -0.506489
C -5.445028 0.414214 -0.186983
C -5.090508 -0.844617 1.879727
C 5.196475 0.059871 0.426375
C 4.473907 2.038545 -0.829683
C -5.963488 -0.363509 0.889046
C 5.513379 1.202793 -0.362420
C -6.032656 1.657479 -2.229442
C 7.173702 -1.371340 0.085641
H 0.659922 0.331767 -1.458039
H -0.784543 -1.983635 1.412660
H -1.851107 -2.569963 0.081483
H -1.512550 1.479457 0.176254
H -1.225995 0.476696 1.621385
H 1.292463 -0.334554 1.505927
H 0.832823 1.272929 0.894298
H -2.513089 -0.835081 -1.543716
H -3.674161 1.317519 -1.081905
H -3.038912 -0.929530 2.582382
H 3.636904 -1.090553 1.343283
H 2.339826 2.427873 -0.872787
H -5.505285 -1.429247 2.705811
H 4.721681 2.919933 -1.436906
H -7.781327 -0.205127 0.188187
H 6.960217 2.302490 -1.158126
H -5.317069 1.110569 -2.872487
H -5.580402 2.608164 -1.888737
H -6.955862 1.862812 -2.790067
H 6.683575 -1.958341 -0.714435
H 7.773250 -2.036934 0.725014
H 7.804260 -0.581627 -0.354108


