%chk=000003335.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003335

0 1
 O    2.678200       2.153900     -6.8000001E-03
 O    6.972100     -0.5121000      1.4600000E-02
 O    5.306700      -2.059300     -8.2999999E-03
 C   0.8345000      0.6940000      1.3000000E-03
 C   -1.864300      0.1590000      1.1000000E-03
 C    3.275100     -0.1805000      1.3500000E-02
 C    2.298600      0.9851000      1.3000000E-03
 C   -3.283800     -0.1216000      5.0000002E-04
 C   0.4228000     -0.6190000      1.2500000E-02
 C  -4.6799999E-02   1.750900     -9.8000001E-03
 C  -0.9454000     -0.8902000      1.2300000E-02
 C   -1.415100       1.479600     -9.8999999E-03
 C    4.726600      0.2846000     -1.2800000E-02
 C   -3.965100     -0.2680000      -1.207900    
 C   -3.970800     -0.2465000       1.208000    
 C   -5.333400     -0.5388000      -1.208800    
 C   -5.339200     -0.5174000       1.207100    
 C    5.669800     -0.8902000     -6.3000000E-03
 C   -6.020400     -0.6636000     -1.4000000E-03
 H    3.104900     -0.7721000      0.9207000    
 H    3.087300     -0.8049000     -0.8678000    
 H    1.100100      -1.465000      2.2700001E-02
 H   0.2816000       2.785400     -1.8600000E-02
 H   -1.279400      -1.925200      2.1199999E-02
 H   -2.118300       2.309300     -1.8800000E-02
 H    4.918500      0.8761000     -0.9150000    
 H    4.939200      0.9033000      0.8662000    
 H   -3.444800     -0.1739000      -2.158200    
 H   -3.455100     -0.1356000       2.159000    
 H   -5.864000     -0.6527000      -2.149600    
 H   -5.874300     -0.6146000       2.147100    
 H   -7.085700     -0.8746000     -2.0999999E-03
 H    7.577300      -1.284100      2.4300000E-02


%chk=000003335-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003335

0 1
O 2.787955 1.950090 -0.886648
O 7.108637 -0.337228 0.466144
O 5.599881 -2.023922 -0.044198
C 0.912895 0.577984 -0.254604
C -1.913217 0.115609 -0.092314
C 3.374855 -0.175777 0.149918
C 2.378785 0.868342 -0.365234
C -3.380846 -0.125204 -0.007073
C 0.405494 -0.648441 0.254564
C -0.013389 1.568156 -0.683486
C -0.981309 -0.873721 0.330700
C -1.396651 1.342801 -0.600971
C 4.825373 0.325971 0.096586
C -4.271340 0.442705 -0.960824
C -3.931309 -0.929483 1.029922
C -5.661086 0.213828 -0.881668
C -5.321060 -1.157406 1.111014
C 5.823815 -0.808940 0.160654
C -6.193815 -0.587296 0.155095
H 3.103043 -0.473371 1.180591
H 3.281443 -1.097810 -0.458903
H 1.089226 -1.440279 0.577565
H 0.385099 2.512158 -1.069789
H -1.348896 -1.840091 0.692203
H -2.090077 2.134538 -0.904435
H 4.990084 0.887710 -0.843990
H 5.044099 1.048296 0.901728
H -3.870913 1.039534 -1.788085
H -3.271536 -1.351840 1.796279
H -6.327150 0.652358 -1.632970
H -5.724154 -1.771301 1.924082
H -7.273073 -0.764544 0.217315
H 7.746535 -1.102126 0.462130


