%chk=000002289.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002289

0 1
 O   -1.769200       1.866100      -1.263100    
 O   0.5197000      0.2624000       3.025300    
 O    2.586700      -3.378100      0.8727000    
 O    1.689500       4.986300     -0.1186000    
 O   -1.622400      -4.596700     -0.8814000    
 O   -7.535000      6.9399998E-02  0.2718000    
 O    6.378300      0.3412000      -2.079100    
 C   -1.045000      0.1021000      0.3333000    
 C  -0.1648000       1.304400      0.2971000    
 C   -2.000500      0.4912000     -0.8571000    
 C    1.952800     -0.7213000       1.300800    
 C  -0.3997000      -1.278400      0.2234000    
 C    1.488400      0.5631000       2.021800    
 C   0.9411000       1.588700       1.079400    
 C   0.9018000      -1.632100      0.6539000    
 C  -0.6448000       2.249300     -0.5935000    
 C   -3.482400      0.3781000     -0.5553000    
 C    3.148900     -0.4340000      0.3878000    
 C    1.562400       2.839700      0.9262000    
 C   -1.225500      -2.325900     -0.2589000    
 C    1.328500      -2.981000      0.4994000    
 C  -4.9699999E-02   3.486800     -0.7597000    
 C    1.070600       3.780600      1.1700000E-02
 C  -0.7842000      -3.642600     -0.3939000    
 C   0.5041000      -3.970400     -2.3800001E-02
 C   -4.299600     -0.4037000      -1.368800    
 C   -4.021700       1.056400      0.5357000    
 C    4.423400     -0.3597000      0.9326000    
 C    2.941700     -0.2527000     -0.9727000    
 C   -5.662400     -0.5076000      -1.090400    
 C   -5.384500      0.9525000      0.8143000    
 C    5.512200     -9.8399997E-02  0.1007000    
 C    4.030500      8.2999999E-03  -1.804600    
 C   -6.205000      0.1705000      1.1000000E-03
 C    5.315700      8.5600004E-02  -1.267900    
 H   -1.590900      0.1125000       1.285500    
 H   -1.758300     -0.1064000      -1.746900    
 H    2.340100      -1.332600       2.133300    
 H    2.341900      0.9992000       2.557600    
 H    2.441700       3.078600       1.520900    
 H   -2.256700      -2.128000     -0.5344000    
 H  -0.4492000       4.208900      -1.463900    
 H   0.9165000     -0.3842000       3.633500    
 H   0.8589000      -4.992300     -0.1263000    
 H   -3.892000     -0.9360000      -2.223900    
 H   -3.400800       1.678000       1.174800    
 H    4.587900     -0.5004000       1.997100    
 H    1.953600     -0.2942000      -1.419900    
 H    2.698900      -4.327000      0.6928000    
 H   -6.290800      -1.119600      -1.732000    
 H   -5.801700       1.484800       1.664700    
 H    6.510900     -3.9099999E-02  0.5247000    
 H    3.863900      0.1528000      -2.868800    
 H    2.446600       5.019900      0.4909000    
 H   -1.152800      -5.448200     -0.9048000    
 H   -7.948300     -0.5102000     -0.3910000    
 H    6.060100      0.4410000      -2.992900    


%chk=000002289-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002289

0 1
O -1.698674 1.876878 -1.249720
O 0.474829 0.246086 3.041912
O 2.539114 -3.401448 1.142524
O 1.827852 5.037665 -0.130788
O -1.817349 -4.567906 -0.809422
O -7.623238 0.050888 0.184091
O 6.361547 0.596474 -2.205643
C -1.001212 0.107734 0.353621
C -0.067821 1.304304 0.333091
C -1.977728 0.432903 -0.850798
C 2.010288 -0.782626 1.347361
C -0.397337 -1.307370 0.283714
C 1.557664 0.524797 2.073127
C 1.050880 1.586623 1.127765
C 0.907073 -1.671010 0.747481
C -0.542600 2.277690 -0.568899
C -3.461102 0.306768 -0.581599
C 3.142084 -0.462448 0.358590
C 1.702466 2.833431 0.982491
C -1.270564 -2.312706 -0.210267
C 1.259857 -3.052024 0.659528
C 0.072533 3.526394 -0.744513
C 1.212349 3.784679 0.051500
C -0.877377 -3.658998 -0.290132
C 0.405669 -4.048658 0.145261
C -4.288949 -0.433410 -1.457028
C -4.059127 0.958075 0.530026
C 4.482536 -0.404910 0.818860
C 2.889036 -0.165478 -1.001523
C -5.677815 -0.543279 -1.230201
C -5.441292 0.864383 0.768287
C 5.542396 -0.051126 -0.039497
C 3.937227 0.188739 -1.877507
C -6.251053 0.108195 -0.112931
C 5.265009 0.250088 -1.391985
H -1.573477 0.141322 1.303793
H -1.696020 -0.168687 -1.735167
H 2.475744 -1.401140 2.143383
H 2.447889 0.909799 2.614909
H 2.591637 3.055196 1.586571
H -2.289083 -2.067235 -0.519017
H -0.299494 4.273017 -1.448798
H 0.711234 -0.571920 3.550584
H 0.731779 -5.096888 0.095175
H -3.847942 -0.929615 -2.330331
H -3.440368 1.558241 1.207075
H 4.704013 -0.656797 1.863651
H 1.864271 -0.210362 -1.384159
H 2.719580 -4.362986 1.001378
H -6.304334 -1.126541 -1.917336
H -5.912208 1.365730 1.618805
H 6.577793 -0.010463 0.311730
H 3.718787 0.420540 -2.928463
H 2.618535 5.124886 0.456924
H -1.461245 -5.490540 -0.804378
H -8.107123 -0.494211 -0.484898
H 6.062262 0.796856 -3.127006


