%chk=000005988.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005988

0 1
 O   -1.468000      0.4385000     -0.9184000    
 O  -0.6033000     -0.8919000      0.8122000    
 O   0.9285000      0.4834000     -0.3053000    
 O   -3.070200      -2.005400       1.193300    
 O   -4.620000      0.6319000      0.7326000    
 O    1.223100      0.2156000       2.565800    
 O    3.610800      -1.728600      0.6379000    
 O    3.150000       1.834700       1.153700    
 O   -1.958200      -1.848000      -2.430000    
 O   -1.384500       3.245000     -0.8933000    
 O    3.836900      0.2057000      -2.504400    
 C   -1.494700     -0.8632000     -0.3037000    
 C   -2.930100      -1.022900      0.1866000    
 C   -3.229000      0.3737000      0.6887000    
 C   -2.550500       1.224300     -0.3791000    
 C   0.7534000     -0.7453000      0.3971000    
 C    1.646200     -0.7853000       1.639000    
 C    3.114700     -0.5553000       1.274600    
 C    3.291500      0.6577000      0.3521000    
 C    2.257900      0.7203000     -0.7858000    
 C   -1.090300      -1.927100      -1.312200    
 C   -2.002700       2.532300      0.1653000    
 C    2.588600     -0.1903000      -1.966600    
 H   -3.621700      -1.273200     -0.6273000    
 H   -2.814800      0.5301000       1.691700    
 H   -3.228900       1.436100      -1.215000    
 H    1.058800      -1.599200     -0.2109000    
 H    1.525700      -1.753000       2.140900    
 H    3.690800     -0.4029000       2.195600    
 H    4.310000      0.6750000     -5.1100001E-02
 H    2.244100       1.750500      -1.164400    
 H   -1.131100      -2.932400     -0.8803000    
 H  -9.9500000E-02  -1.768600      -1.740000    
 H   -1.244800       2.360500      0.9369000    
 H   -2.799000       3.154300      0.5841000    
 H    1.821000     -0.1132000      -2.744300    
 H    2.653200      -1.244600      -1.689100    
 H   -3.980000      -1.948500       1.531800    
 H   -4.736400       1.566400      0.9746000    
 H   0.2787000      6.6600002E-02   2.743300    
 H    4.549000      -1.576900      0.4327000    
 H    3.342700       2.601100      0.5871000    
 H   -1.696200      -2.550800      -3.048800    
 H  -0.6790000       2.680600      -1.253500    
 H    3.748900       1.123400      -2.813500    


%chk=000005988-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005988

0 1
O -1.816300 -0.108860 -1.295133
O -0.530156 -0.712092 0.667242
O 0.995168 0.802247 -0.263887
O -2.776270 -1.354592 1.990444
O -4.773262 0.697647 0.497559
O 1.349249 -0.437105 2.501739
O 3.584557 -1.549701 -0.205825
O 3.056102 1.569795 1.877689
O -2.625261 -2.732767 -1.736246
O -0.743333 2.456326 -1.691009
O 4.268243 0.361388 -1.990462
C -1.669435 -1.056852 -0.202183
C -2.955234 -0.878553 0.629154
C -3.306361 0.618732 0.501818
C -2.625432 1.077341 -0.817162
C 0.797259 -0.620297 0.102656
C 1.736450 -1.084430 1.238367
C 3.204865 -0.723120 0.944126
C 3.331727 0.799301 0.670164
C 2.404147 1.244410 -0.488524
C -1.519946 -2.461900 -0.822141
C -1.702624 2.301132 -0.611964
C 2.855227 0.802678 -1.917483
H -3.752318 -1.440948 0.099457
H -2.886601 1.166253 1.370755
H -3.363521 1.254435 -1.617919
H 0.927842 -1.251435 -0.794470
H 1.643232 -2.184109 1.324974
H 3.823525 -0.974538 1.826582
H 4.375577 1.039561 0.399343
H 2.320962 2.342651 -0.421942
H -1.584695 -3.215803 -0.022172
H -0.544727 -2.560176 -1.339560
H -1.178955 2.206148 0.361793
H -2.320396 3.218510 -0.601320
H 2.678521 1.612959 -2.648647
H 2.280606 -0.081083 -2.233595
H -3.672539 -1.475180 2.392816
H -5.060665 1.638660 0.604416
H 0.357583 -0.500394 2.568079
H 4.160655 -1.017454 -0.833298
H 2.297061 1.111090 2.351415
H -2.651969 -1.981699 -2.386466
H -0.075999 1.729069 -1.531162
H 4.879041 1.133855 -2.067418


