%chk=000131946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131946

0 1
 O   -4.994000     -0.2361000       1.145600    
 O   -2.258600      -2.003300      0.4615000    
 O   -3.789700     -0.3821000       3.079900    
 O   -2.205000       2.406200      -1.263800    
 O   -4.237800       2.808000     -0.2366000    
 O   -4.782800      -1.048000      -2.299600    
 O   -5.176200      -2.312900     -0.4446000    
 O   -2.278600       3.841700      -1.481300    
 C   -2.695700      0.2934000       1.025100    
 C   -3.329100      0.5790000     -0.3283000    
 C   -1.652900     -0.8134000      0.9585000    
 C   -4.744600      5.2499998E-02 -0.2278000    
 C  -0.4423000     -0.4613000      8.6000003E-02
 C   0.8287000      -1.250600      0.4213000    
 C   -3.853700     -0.1383000       1.883500    
 C    2.007900     -0.7902000     -0.4395000    
 C    3.286200      -1.552100     -8.5199997E-02
 C   -3.338000       2.057000     -0.5884000    
 C    4.472500      -1.068500     -0.9224000    
 C   -4.929300      -1.235200     -0.9652000    
 C    5.756500      -1.809300     -0.5427000    
 C    6.984500      -1.342500      -1.329800    
 C    7.347900      0.1227000      -1.078600    
 C    7.671800      0.3673000      0.3970000    
 C    7.998500       1.837600      0.6585000    
 C    8.353700       2.078400       2.117000    
 H   -2.264000       1.198600       1.469200    
 H   -2.801800      0.1180000      -1.171000    
 H   -1.315300      -1.030400       1.979700    
 H   -5.520800      0.7443000     -0.5720000    
 H  -0.6783000     -0.6263000     -0.9722000    
 H  -0.2132000      0.6048000      0.2094000    
 H   0.6532000      -2.321200      0.2645000    
 H    1.073800      -1.113600       1.481500    
 H    1.771200     -0.9407000      -1.499700    
 H    2.170400      0.2848000     -0.2936000    
 H    3.132700      -2.625700     -0.2492000    
 H    3.509800      -1.416000      0.9799000    
 H    4.592900      7.7000000E-03 -0.7594000    
 H    4.261800      -1.215800      -1.988400    
 H    5.931800      -1.748200      0.5360000    
 H    5.612600      -2.877000     -0.7548000    
 H   -1.593700      -2.711600      0.4944000    
 H    6.805500      -1.485400      -2.402300    
 H    7.837600      -1.979500      -1.066400    
 H    8.226100      0.3730000      -1.686600    
 H    6.543800      0.7872000      -1.411500    
 H    6.822300      9.9900000E-02   1.033000    
 H    8.518000     -0.2618000      0.6985000    
 H    8.839700       2.149500      2.8600000E-02
 H    7.140500       2.463900      0.3878000    
 H   -4.898000      -1.882900      -2.801600    
 H    7.521300       1.806800       2.773800    
 H    8.584700       3.135600       2.281100    
 H    9.229100       1.490100       2.410000    
 H   -1.694700       4.084700     -0.7423000    


%chk=000131946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131946

0 1
O -5.184136 -0.303737 1.294146
O -2.162411 -1.747491 0.446345
O -3.882150 0.027942 3.189028
O -2.687504 2.488389 -1.162462
O -4.966971 2.236091 -1.499466
O -4.689712 -1.796407 -2.022219
O -5.256429 -2.813086 -0.001530
O -2.910315 3.833594 -1.820638
C -2.913122 0.466116 0.934208
C -3.627733 0.401077 -0.447747
C -1.689104 -0.473462 1.033293
C -4.973751 -0.339091 -0.161799
C -0.442889 0.066991 0.307535
C 0.753663 -0.908258 0.357274
C -3.987586 0.049565 1.957122
C 2.032268 -0.316677 -0.279281
C 3.235507 -1.285037 -0.242846
C -3.889603 1.759965 -1.071334
C 4.513753 -0.693527 -0.879777
C -4.983639 -1.792717 -0.649092
C 5.720195 -1.658323 -0.816099
C 6.985287 -1.145724 -1.551335
C 7.566436 0.189071 -1.020218
C 8.018297 0.146635 0.457938
C 8.693820 1.458827 0.918784
C 9.128174 1.428142 2.400153
H -2.581584 1.488526 1.184956
H -3.026159 -0.186253 -1.162904
H -1.458721 -0.613522 2.110836
H -5.820223 0.192291 -0.632022
H -0.691796 0.296136 -0.747618
H -0.155240 1.028185 0.780547
H 0.491058 -1.846187 -0.173607
H 0.967199 -1.182227 1.412663
H 1.819584 -0.033382 -1.330934
H 2.300934 0.622581 0.247060
H 2.968019 -2.226077 -0.767707
H 3.449256 -1.566249 0.809888
H 4.764294 0.257349 -0.367392
H 4.309557 -0.432120 -1.939511
H 5.961956 -1.870109 0.245324
H 5.423145 -2.630310 -1.261989
H -1.624040 -2.503720 0.782753
H 6.745535 -1.027603 -2.628610
H 7.772646 -1.925391 -1.490491
H 8.437459 0.468209 -1.648712
H 6.824374 1.002831 -1.151153
H 7.148276 -0.059010 1.114753
H 8.723403 -0.699149 0.602091
H 9.576359 1.657917 0.276842
H 7.994749 2.304535 0.754199
H -4.727028 -2.727642 -2.369203
H 8.258524 1.265013 3.064740
H 9.610568 2.376190 2.701746
H 9.848284 0.608607 2.584902
H -3.911833 3.794511 -2.014928


