%chk=000010158.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010158

0 1
 O   8.1799999E-02  -1.974700      -2.101200    
 O    2.141400     -0.3846000     -0.7171000    
 O  -0.3901000      -1.458500       1.615300    
 O   -2.054800       1.056300       1.046700    
 O    2.820900      0.5654000       1.273000    
 O    1.648200      -1.412700       2.701800    
 O   -3.112800       2.488100       2.487600    
 C   0.9498000      -2.489600      -1.074200    
 C    1.358500      -1.390900     -6.6100001E-02
 C   0.1494000     -0.6839000      0.5495000    
 C  -0.9325000     -0.4579000     -0.4716000    
 C  -0.8998000      -1.102700      -1.712700    
 C    2.185100      -3.027900      -1.818400    
 C   0.2541000      -3.684800     -0.3989000    
 C   -2.007200      0.4088000     -0.2113000    
 C   -1.897100     -0.8602000      -2.665200    
 C   -3.013100      0.6498000      -1.146400    
 C   -2.951200      1.0300000E-02  -2.383500    
 C    2.570400      0.6316000      8.1299998E-02
 C   -4.093200       1.561700     -0.8077000    
 C   0.4747000      -1.752200       2.631900    
 C   -3.076800       1.931800       1.395800    
 C   -4.122300       2.162300      0.3840000    
 C    2.659200       1.847100     -0.7624000    
 C  -0.2268000      -2.566400       3.676400    
 C    3.496600       2.879600     -0.5562000    
 C    3.478500       4.055900      -1.498700    
 C    4.509100       2.998100      0.5484000    
 H    2.029500      -1.882000      0.6399000    
 H   0.3934000      0.2982000      0.9665000    
 H    2.666400      -2.241400      -2.410500    
 H    2.923200      -3.444000      -1.125000    
 H    1.901900      -3.809900      -2.532800    
 H  -0.7193000      -3.416400      2.2200000E-02
 H   4.6000000E-02  -4.473900      -1.131500    
 H   0.8736000      -4.111500      0.3967000    
 H   -1.861500      -1.354900      -3.632900    
 H   -3.716000      0.1776000      -3.137900    
 H   -4.873500       1.746100      -1.538000    
 H   -4.926100       2.843500      0.6410000    
 H    1.991800       1.863500      -1.621500    
 H  -0.5759000      -3.505600       3.239900    
 H   -1.064300      -1.997900       4.088300    
 H   0.4710000      -2.796400       4.486600    
 H    3.258900       4.977000     -0.9487000    
 H    2.722300       3.951300      -2.284000    
 H    4.451900       4.165900      -1.987900    
 H    4.681700       2.063100       1.084700    
 H    4.190300       3.755500       1.271600    
 H    5.479000       3.301900      0.1390000    


%chk=000010158-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010158

0 1
O 0.030708 -1.632864 -2.150113
O 1.651336 0.355068 -0.590341
O -0.590887 -1.543013 1.670290
O -2.749604 0.531430 1.191116
O 3.734716 -0.059339 0.397709
O 0.513409 -0.196992 3.229347
O -4.043998 1.514042 2.834153
C 1.070284 -2.007465 -1.111806
C 1.141158 -0.914611 -0.015306
C -0.224896 -0.549003 0.600006
C -1.336025 -0.538540 -0.412759
C -1.152702 -1.050921 -1.722410
C 2.367645 -2.111330 -1.920156
C 0.653014 -3.367656 -0.514340
C -2.590623 0.036295 -0.104532
C -2.186460 -0.966402 -2.701453
C -3.649082 0.120585 -1.055779
C -3.413252 -0.390496 -2.367107
C 2.995282 0.703984 -0.273832
C -4.890480 0.723450 -0.636937
C -0.209706 -1.184271 2.980993
C -4.010422 1.134940 1.649024
C -5.064144 1.206049 0.644661
C 3.284418 2.021688 -0.861639
C -0.823868 -2.131523 3.983981
C 4.470063 2.707676 -0.771930
C 4.601718 4.064826 -1.434734
C 5.699869 2.218300 -0.039031
H 1.838965 -1.245744 0.775320
H -0.121008 0.430943 1.099652
H 2.565836 -1.169428 -2.456079
H 3.218886 -2.322797 -1.250770
H 2.281613 -2.924064 -2.660948
H -0.299950 -3.304038 0.034537
H 0.553759 -4.102889 -1.330807
H 1.426528 -3.728079 0.187344
H -1.989037 -1.366403 -3.699428
H -4.213048 -0.329478 -3.113834
H -5.710070 0.794861 -1.361926
H -6.001545 1.661398 0.972870
H 2.444183 2.463035 -1.408046
H -0.914778 -3.147580 3.569197
H -1.840078 -1.772334 4.230494
H -0.224550 -2.139479 4.906654
H 4.874185 4.835415 -0.687296
H 3.672862 4.380626 -1.937691
H 5.418687 4.052571 -2.182733
H 5.563129 1.214097 0.384897
H 5.950986 2.920921 0.780307
H 6.571269 2.214040 -0.722990


