%chk=000101706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101706

0 1
 O    3.555500       1.358300      -1.395300    
 O    2.293700       2.608100      3.3500001E-02
 O   -5.737700      0.3973000     -0.1568000    
 C   0.6121000     -0.7464000     -0.5924000    
 C    2.146200     -0.8705000     -0.3489000    
 C  -0.1819000     -0.4833000      0.7077000    
 C    2.735300      0.2730000      0.5322000    
 C   0.4020000      0.6919000       1.509300    
 C    1.891200      0.5163000       1.795700    
 C   0.2523000      0.3081000      -1.652700    
 C    2.445900      -2.269100      0.2274000    
 C   -1.661700     -0.2519000      0.4421000    
 C   -1.225000      0.2020000      -2.026600    
 C    4.193800      3.3000000E-03  0.9507000    
 C   -2.139600      0.1049000     -0.8328000    
 C    2.818000       1.548000     -0.2740000    
 C    2.037600      -3.350800     -0.7456000    
 C   -2.575900     -0.3805000       1.502400    
 C   -3.515300      0.3143000      -1.021200    
 C   -3.938400     -0.1605000       1.303700    
 C   -4.408100      0.1874000      4.1800000E-02
 H   0.2358000      -1.683300      -1.015600    
 H    2.633800     -0.8448000      -1.333100    
 H  -0.1067000      -1.389500       1.324500    
 H  -0.1182000      0.7795000       2.472200    
 H   0.2144000       1.641000      0.9951000    
 H    2.251900       1.398500       2.340600    
 H    2.009800     -0.3307000       2.484300    
 H   0.8588000      0.1710000      -2.555600    
 H   0.4422000       1.321800      -1.290700    
 H    1.962800      -2.428900       1.196600    
 H    3.522700      -2.386500      0.3865000    
 H   -1.378000     -0.6911000      -2.645600    
 H   -1.496300       1.073700      -2.634400    
 H    4.662100      0.9050000       1.365500    
 H    4.258000     -0.7679000       1.726200    
 H    4.810500     -0.3203000      0.1041000    
 H   0.9649000      -3.560700     -0.7134000    
 H    2.326200      -3.116200      -1.775100    
 H    2.534000      -4.290100     -0.4752000    
 H   -2.227000     -0.6548000       2.495300    
 H   -3.886000      0.5744000      -2.010700    
 H   -4.627000     -0.2645000       2.137600    
 H    3.617900       2.175000      -1.934900    
 H   -5.885000      0.6287000      -1.089900    


%chk=000101706-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101706

0 1
O 3.424357 1.426721 -1.534955
O 2.457775 2.727071 0.111706
O -5.830867 0.404920 -0.117233
C 0.630608 -0.712142 -0.624735
C 2.160557 -0.895696 -0.362089
C -0.178827 -0.502577 0.686896
C 2.758981 0.276225 0.515711
C 0.406887 0.673588 1.523853
C 1.913902 0.490859 1.803324
C 0.272633 0.398244 -1.647439
C 2.482003 -2.293587 0.251241
C -1.667853 -0.282699 0.408402
C -1.208348 0.265958 -2.062279
C 4.249659 0.012987 0.910721
C -2.149374 0.118462 -0.868817
C 2.812950 1.590622 -0.276851
C 2.005813 -3.490774 -0.603990
C -2.604240 -0.450390 1.462746
C -3.536186 0.352060 -1.050986
C -3.981439 -0.225902 1.286345
C -4.444876 0.184010 0.015615
H 0.276746 -1.657190 -1.085246
H 2.672308 -0.859297 -1.345814
H -0.082102 -1.420987 1.304979
H -0.140338 0.747518 2.483034
H 0.239670 1.632224 0.999798
H 2.298922 1.373624 2.346665
H 2.065166 -0.387987 2.461233
H 0.920236 0.310647 -2.540550
H 0.440600 1.404748 -1.221693
H 2.055690 -2.383524 1.270088
H 3.578094 -2.381845 0.365931
H -1.318781 -0.627200 -2.713659
H -1.515466 1.135016 -2.676255
H 4.691160 0.916452 1.370779
H 4.310275 -0.798746 1.655114
H 4.856933 -0.259691 0.030462
H 0.906499 -3.597290 -0.609282
H 2.340217 -3.386421 -1.653936
H 2.423943 -4.435669 -0.210291
H -2.242098 -0.769643 2.448365
H -3.901608 0.666354 -2.039647
H -4.698900 -0.358412 2.101198
H 3.481419 2.317781 -1.975563
H -6.051099 0.690777 -1.038396


