%chk=000145988.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145988

0 1
 O   0.4764000     -0.4503000     -0.4732000    
 O    1.946500       2.696800      0.2210000    
 O    5.917400     -0.9401000      0.1224000    
 O   -5.956000      -1.664000     -0.2339000    
 O   -4.148200      -2.699500      0.6518000    
 C   0.2857000      0.9792000     -0.3226000    
 C  -0.6929000       1.242500      0.8044000    
 C    1.653800       1.543500     -2.5699999E-02
 C    2.582100      0.4473000     -8.3600000E-02
 C    1.822900     -0.6738000     -0.3487000    
 C   -2.123700       1.051700      0.3673000    
 C    3.951100      0.4100000      8.2599998E-02
 C    2.420500      -1.913800     -0.4616000    
 C   -2.712900     -0.1974000      0.4912000    
 C   -2.825600       2.128700     -0.1522000    
 C    4.567700     -0.8368000     -3.1399999E-02
 C    3.808300      -1.990500     -0.3017000    
 C   -4.036000     -0.3734000      8.5900001E-02
 C   -4.148700       1.952600     -0.5573000    
 C   -4.753800      0.7016000     -0.4383000    
 C   -4.667400      -1.677800      0.2092000    
 C    6.632700      0.2634000      0.3946000    
 H  -5.1600002E-02   1.378600      -1.286700    
 H  -0.5786000       2.266000       1.185000    
 H  -0.4865000      0.5853000       1.660000    
 H    4.467800       1.338000      0.2904000    
 H    1.837900      -2.805100     -0.6672000    
 H   -2.145700      -1.029700      0.9001000    
 H   -2.362500       3.106300     -0.2514000    
 H    4.302000      -2.955600     -0.3864000    
 H   -4.706800       2.789900     -0.9662000    
 H   -5.785300      0.6106000     -0.7666000    
 H    7.691000     -2.7000001E-03  0.4857000    
 H    6.330400      0.7038000       1.350900    
 H    6.552400      0.9757000     -0.4336000    
 H   -6.379800      -2.544700     -0.1497000    


%chk=000145988-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145988

0 1
O 0.411520 -0.346001 -0.499254
O 1.969474 2.921682 -0.005894
O 5.902782 -1.155362 0.236376
O -5.794473 -1.967985 -0.326970
O -3.726452 -2.805604 0.311541
C 0.266243 1.148588 -0.423244
C -0.732546 1.539700 0.685538
C 1.696520 1.699037 -0.163195
C 2.577344 0.523942 -0.129238
C 1.775941 -0.625536 -0.325917
C -2.182397 1.224688 0.348338
C 3.976129 0.421607 0.068849
C 2.331459 -1.922314 -0.336420
C -2.655390 -0.108570 0.338944
C -3.088978 2.268738 0.027973
C 4.540994 -0.871089 0.059208
C 3.719680 -2.025862 -0.142098
C -4.004914 -0.392726 0.013200
C -4.436445 1.989150 -0.298957
C -4.901747 0.659071 -0.308858
C -4.441597 -1.814684 0.025445
C 6.799671 -0.016001 0.447705
H -0.096671 1.476829 -1.414599
H -0.599808 2.626343 0.847783
H -0.422692 1.027642 1.615907
H 4.565754 1.329859 0.220413
H 1.707273 -2.806677 -0.487507
H -1.983273 -0.940497 0.573425
H -2.736938 3.307703 0.037389
H 4.211171 -3.003745 -0.139465
H -5.120215 2.809585 -0.541311
H -5.940040 0.423166 -0.557045
H 7.801322 -0.454659 0.562097
H 6.528275 0.542897 1.364490
H 6.787792 0.669600 -0.421918
H -6.020165 -2.936215 -0.298231


