%chk=000015189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015189

0 1
 O    3.819800      -1.529900     -1.7500000E-02
 O    2.412400      -3.313000     -0.1115000    
 O   -3.056200       3.381100      8.3999997E-03
 O   -3.722600      -3.464700     -0.2437000    
 O   -4.358400       1.438000     -8.2900003E-02
 C    1.543600      0.1777000     -3.3000000E-03
 C    1.387100      -1.168300     -5.4000001E-02
 C    2.916400      0.7254000      4.3200001E-02
 C   0.3392000       1.016500     -5.0000002E-04
 C    4.003500     -0.1409000      3.4699999E-02
 C   5.2000001E-02  -1.768400     -0.1038000    
 C    2.556800      -2.094800     -6.3600004E-02
 C    3.183600       2.101900      9.7000003E-02
 C  -0.1976000       1.447700      -1.206000    
 C  -0.2468000       1.367700       1.208100    
 C    5.322500      0.3157000      7.7399999E-02
 C  -0.5490000      -2.007500      -1.333900    
 C  -0.6003000      -2.091900       1.080000    
 C    4.499200       2.576400      0.1403000    
 C    5.568200       1.683400      0.1305000    
 C   -1.341900       2.245100      -1.202900    
 C   -1.391200       2.165200       1.211200    
 C   -1.938700       2.604000      5.7000001E-03
 C   -1.820600      -2.578600      -1.380800    
 C   -1.872000      -2.662900       1.033000    
 C   -2.482200      -2.906100     -0.1974000    
 C   -4.258800       2.657100     -3.9299998E-02
 C   -4.341900      -3.774800       1.003800    
 C   -5.426100       3.598900     -3.2299999E-02
 H    2.379200       2.833100      0.1065000    
 H   0.2582000       1.178500      -2.155400    
 H   0.1702000       1.035500       2.155400    
 H    6.152300     -0.3848000      6.9600001E-02
 H  -4.4599999E-02  -1.759900      -2.264500    
 H  -0.1352000      -1.910100       2.045700    
 H    4.686600       3.645700      0.1818000    
 H    6.588200       2.054000      0.1642000    
 H   -1.762900       2.584100      -2.145500    
 H   -1.850700       2.441500       2.156300    
 H   -2.290800      -2.766200      -2.342300    
 H   -2.328500      -2.893000       1.989600    
 H   -3.775200      -4.531000       1.557400    
 H   -5.321100      -4.210200      0.7792000    
 H   -4.521900      -2.872800       1.598700    
 H   -5.414100       4.194500      0.8838000    
 H   -6.356200       3.024400     -6.3400000E-02
 H   -5.384300       4.244700     -0.9128000    


%chk=000015189-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015189

0 1
O 3.936405 -1.380833 -0.163996
O 2.801494 -3.304688 -0.638182
O -3.361010 3.174297 -0.132573
O -3.376430 -4.406649 -0.529911
O -3.476240 4.169225 2.003134
C 1.486818 0.078081 -0.040567
C 1.446571 -1.306750 -0.242624
C 2.773031 0.767228 0.103419
C 0.229390 0.893315 -0.011259
C 3.971976 -0.002550 0.059553
C 0.182612 -2.098260 -0.299341
C 2.697823 -2.089438 -0.379584
C 2.914860 2.179420 0.259269
C -0.630767 0.918202 -1.141670
C -0.125215 1.668328 1.121759
C 5.249672 0.574558 0.210349
C -0.044612 -3.055043 -1.330375
C -0.819301 -1.940253 0.692383
C 4.181378 2.770236 0.401454
C 5.352595 1.966444 0.388054
C -1.804170 1.692149 -1.135089
C -1.306532 2.442534 1.155558
C -2.139984 2.446811 0.012299
C -1.236593 -3.794249 -1.383948
C -2.015313 -2.686441 0.662362
C -2.229432 -3.614286 -0.387551
C -3.951653 3.985330 0.865181
C -4.423393 -4.274710 0.486992
C -5.233591 4.570718 0.318032
H 2.019791 2.807487 0.256724
H -0.377855 0.324733 -2.025713
H 0.518131 1.653022 2.008658
H 6.129262 -0.074330 0.174133
H 0.723299 -3.224909 -2.089826
H -0.658789 -1.233756 1.512944
H 4.265264 3.855354 0.519260
H 6.338543 2.428510 0.504015
H -2.470422 1.720394 -2.002094
H -1.570538 3.021361 2.040567
H -1.415993 -4.525133 -2.177928
H -2.756362 -2.541729 1.453828
H -4.045906 -4.550854 1.490571
H -5.210833 -4.978482 0.180399
H -4.831499 -3.245610 0.513577
H -5.032022 5.131122 -0.610854
H -5.684069 5.236151 1.068003
H -5.941191 3.761943 0.064808


