%chk=000005407.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005407

0 1
 O   -3.157900      0.8052000     -0.5382000    
 O   -4.690200     -0.2631000      -1.794300    
 O    5.671700     -4.8000000E-02  0.7317000    
 C  -0.5308000     -0.6488000      0.1998000    
 C   0.4417000      0.5722000      0.1521000    
 C   -1.760100     -0.3618000       1.127400    
 C   -2.494000      0.9423000      0.7468000    
 C    1.744500      0.3011000     -0.6931000    
 C  -0.3432000       1.814500     -0.3109000    
 C   -1.508400       2.114600      0.6243000    
 C   0.2161000      -1.923000      0.6447000    
 C   -2.793100      -1.494300       1.109500    
 C    2.364800      -1.005600     -0.1987000    
 C    1.456200      -2.203700     -0.1951000    
 C   -3.571500       1.351100       1.769900    
 C    1.451200      0.1820000      -2.206100    
 C    2.721200       1.461200     -0.5432000    
 C   -3.475400      -1.606400     -0.2403000    
 C   -3.854900     -0.3002000     -0.8929000    
 C    3.621600      -1.112400      0.2603000    
 C    3.973300       1.363900     -8.5400000E-02
 C    4.517300      5.9300002E-02  0.3319000    
 H  -0.8986000     -0.8208000     -0.8194000    
 H   0.7661000      0.7630000       1.187900    
 H   -1.381700     -0.2633000       2.154500    
 H  -0.7233000       1.672500      -1.329200    
 H   0.2986000       2.700400     -0.3318000    
 H   -1.112200       2.376900       1.613900    
 H   -2.028100       3.001300      0.2389000    
 H  -0.4356000      -2.798900      0.5656000    
 H   0.5013000      -1.832400       1.701000    
 H   -3.550900      -1.316400       1.881500    
 H   -2.350000      -2.456200       1.384300    
 H    1.168700      -2.459000      -1.221400    
 H    1.962400      -3.089600      0.2077000    
 H   -3.993200       2.330700       1.513700    
 H   -4.423100      0.6639000       1.775400    
 H   -3.160300       1.410600       2.782700    
 H    1.125200       1.136700      -2.635300    
 H    2.347500     -0.1251000      -2.760500    
 H   0.6701000     -0.5521000      -2.426500    
 H    2.391700       2.446800     -0.8631000    
 H   -4.387700      -2.202500     -0.1222000    
 H   -2.823700      -2.138400     -0.9427000    
 H    4.023300      -2.056400      0.6132000    
 H    4.619900       2.231300     -2.2000000E-02


%chk=000005407-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005407

0 1
O -3.185080 0.855365 -0.542402
O -4.540840 -0.286366 -1.969622
O 5.739978 -0.034066 0.823934
C -0.541594 -0.652236 0.191089
C 0.427874 0.571666 0.142258
C -1.754689 -0.357939 1.139424
C -2.484372 0.973071 0.807195
C 1.754931 0.294607 -0.699779
C -0.349539 1.819028 -0.343750
C -1.509573 2.148201 0.611348
C 0.192894 -1.943019 0.629700
C -2.803601 -1.500007 1.150640
C 2.369571 -1.017681 -0.211626
C 1.452994 -2.220161 -0.231651
C -3.569585 1.361634 1.831504
C 1.443277 0.179073 -2.234108
C 2.709730 1.464352 -0.536378
C -3.498843 -1.634640 -0.221777
C -3.810797 -0.327186 -0.958308
C 3.648590 -1.101291 0.269611
C 3.982016 1.364909 -0.057865
C 4.548630 0.065814 0.378828
H -0.932288 -0.806874 -0.836694
H 0.770233 0.763210 1.184200
H -1.348712 -0.244544 2.166890
H -0.763091 1.640752 -1.353818
H 0.312016 2.701364 -0.409721
H -1.111547 2.431824 1.606366
H -2.084464 3.011014 0.228110
H -0.479645 -2.817577 0.558653
H 0.495124 -1.850448 1.693136
H -3.554472 -1.295192 1.934139
H -2.340416 -2.462647 1.427670
H 1.131682 -2.447831 -1.268361
H 1.981995 -3.113158 0.146493
H -3.994540 2.344070 1.562757
H -4.402453 0.639523 1.861956
H -3.136398 1.435723 2.846006
H 1.113126 1.149838 -2.641872
H 2.352459 -0.125374 -2.781115
H 0.651443 -0.561113 -2.441663
H 2.338921 2.441532 -0.872614
H -4.447731 -2.193799 -0.143406
H -2.867962 -2.218778 -0.920702
H 4.059813 -2.058769 0.612882
H 4.641436 2.237228 0.018846


