%chk=000005211.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005211

0 1
 O    1.423200       1.852500     -0.1255000    
 O   0.6783000      -1.522000       1.358400    
 O    3.169600      -2.675300     -0.1207000    
 C   -1.677400     -0.4673000     -7.5099997E-02
 C   -2.662700      0.7344000     -0.3344000    
 C  -0.2099000      4.4399999E-02 -0.2838000    
 C   0.1826000       1.367800      0.4547000    
 C   -4.193900      0.3874000     -0.3650000    
 C   -2.015400      -1.542700      -1.157900    
 C   -2.296400       1.977400      0.4955000    
 C   -1.755400      -1.134900       1.321100    
 C  -0.8783000       2.441800      0.1594000    
 C   0.8341000      -1.036400      2.7100001E-02
 C   -4.427400     -0.7929000      -1.342700    
 C   -3.482800      -1.972800      -1.151000    
 C  -0.5981000      -2.104100       1.591200    
 C   0.4118000       1.346600       1.983800    
 C   -5.000100       1.589200     -0.9277000    
 C   -4.800500      7.3100001E-02   1.013900    
 C    2.221700     -0.4627000     -0.1295000    
 C    2.432400      0.9227000     -0.2120000    
 C    3.326100      -1.322800     -0.2092000    
 C    3.718800       1.431900     -0.4059000    
 C    4.611700     -0.8107000     -0.3871000    
 C    4.807000      0.5650000     -0.4902000    
 C    6.180900       1.110500     -0.6874000    
 H   -2.450200       1.038900      -1.374500    
 H  -0.1074000      0.2694000      -1.359000    
 H   -1.397300      -2.438800      -1.045800    
 H   -1.779300      -1.143300      -2.153700    
 H   -2.401400       1.783200       1.566700    
 H   -2.967600       2.810500      0.2664000    
 H   -2.671500      -1.709500       1.454200    
 H   -1.774500     -0.3761000       2.103800    
 H  -0.8270000       2.726000     -0.9009000    
 H  -0.6519000       3.365800      0.7072000    
 H   0.7272000      -1.871600     -0.6762000    
 H   -4.302800     -0.4344000      -2.374100    
 H   -5.463600      -1.147400      -1.270700    
 H   -3.644200      -2.690000      -1.965300    
 H   -3.729100      -2.509200     -0.2295000    
 H  -0.6289000      -2.417100       2.640400    
 H  -0.6901000      -3.016100      0.9913000    
 H    1.209600      0.6647000       2.289500    
 H   0.7522000       2.335200       2.319700    
 H  -0.4811000       1.109900       2.560200    
 H   -4.568500       1.956100      -1.865700    
 H   -6.038400       1.303100      -1.135200    
 H   -5.037500       2.424700     -0.2213000    
 H   -4.540500      0.8357000       1.754300    
 H   -5.895800      4.3200001E-02  0.9566000    
 H   -4.501200     -0.8983000       1.404500    
 H    3.868500       2.506700     -0.4782000    
 H    5.463700      -1.483900     -0.4486000    
 H    4.039100      -3.104000     -0.1980000    
 H    6.803000      0.4156000      -1.261800    
 H    6.156400       2.053100      -1.244900    
 H    6.656800       1.289100      0.2818000    


%chk=000005211-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005211

0 1
O 1.428680 1.874836 -0.110743
O 0.687554 -1.533285 1.477353
O 3.096786 -2.701623 -0.205138
C -1.692907 -0.481389 -0.029094
C -2.674679 0.724386 -0.322630
C -0.222462 0.055736 -0.218196
C 0.136568 1.387483 0.520657
C -4.213697 0.384912 -0.389120
C -1.985702 -1.561260 -1.123785
C -2.326049 1.980067 0.514409
C -1.800449 -1.133207 1.385705
C -0.897878 2.472347 0.183200
C 0.841940 -1.023430 0.084922
C -4.408438 -0.797846 -1.390897
C -3.468052 -1.996883 -1.150036
C -0.644975 -2.123384 1.666936
C 0.410859 1.353612 2.040629
C -4.982510 1.605415 -0.976704
C -4.863174 0.053376 0.984005
C 2.233720 -0.464571 -0.086571
C 2.465182 0.933654 -0.190967
C 3.354515 -1.317496 -0.243634
C 3.758858 1.455702 -0.429361
C 4.654204 -0.812406 -0.466855
C 4.864165 0.587768 -0.556848
C 6.263954 1.141927 -0.760447
H -2.425298 1.003130 -1.375713
H -0.119790 0.311853 -1.296150
H -1.345759 -2.452575 -0.989120
H -1.721795 -1.136181 -2.115452
H -2.419479 1.778785 1.599318
H -3.037460 2.793888 0.288201
H -2.743863 -1.697634 1.486867
H -1.814651 -0.358353 2.171875
H -0.829647 2.710930 -0.896246
H -0.656301 3.396889 0.740194
H 0.717541 -1.889021 -0.598778
H -4.228126 -0.412645 -2.417285
H -5.466448 -1.128366 -1.358806
H -3.614380 -2.745703 -1.953183
H -3.734279 -2.510354 -0.205215
H -0.660971 -2.447914 2.721767
H -0.740494 -3.028068 1.026448
H 1.138374 0.575774 2.312639
H 0.799911 2.345389 2.334357
H -0.507662 1.161627 2.619289
H -4.477694 2.004336 -1.877396
H -6.004951 1.299257 -1.269752
H -5.084131 2.428333 -0.246344
H -4.604380 0.811471 1.745985
H -5.965385 0.048295 0.882125
H -4.567021 -0.933487 1.375222
H 3.879818 2.540909 -0.501057
H 5.503259 -1.500478 -0.576326
H 3.937777 -3.209640 -0.318754
H 6.889386 0.455279 -1.358283
H 6.239356 2.118504 -1.274312
H 6.775127 1.292632 0.210297


