%chk=000129663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129663

0 1
 O    3.226800      0.6056000      0.4755000    
 O    2.553300     -0.9254000      -1.151300    
 O    6.556800       1.641900      -1.693300    
 O    6.404600       2.310300       1.114900    
 O    5.171600     -0.9037000      -2.224400    
 O   -2.058700      -1.199300      0.3558000    
 O    2.755000       1.414100       3.060000    
 O   0.6944000      0.6626000      -2.049300    
 O    1.193600      -4.266200       1.937600    
 O   -7.731100       1.459100      7.4500002E-02
 O   -6.757100     -0.4177000      -1.729900    
 C    5.815900      0.8833000     -0.7361000    
 C    5.305000       1.845300      0.3365000    
 C    4.659000      0.1707000      -1.436800    
 C    4.294700       1.150500       1.252500    
 C    3.667900     -0.4067000     -0.4264000    
 C    3.683200       2.121100       2.257900    
 C    1.550500      -1.482600     -0.4130000    
 C   0.2367000      -1.008500     -0.4454000    
 C   -2.211800      0.1834000     -7.9999998E-04
 C   -1.598300      0.4672000      -1.370600    
 C  -0.7520000      -1.614300      0.3354000    
 C  -0.1353000      0.1084000      -1.338200    
 C    1.868800      -2.575100      0.3945000    
 C   -3.687500      0.5219000      1.7300000E-02
 C  -0.4321000      -2.719200       1.125300    
 C   0.8791000      -3.195200       1.158100    
 C   -4.557500     -0.1086000     -0.8716000    
 C   -4.175400       1.464300      0.9220000    
 C   -5.917000      0.2034000     -0.8557000    
 C   -5.534800       1.776400      0.9378000    
 C   -6.405600       1.146000      4.8999999E-02
 C   -8.563100      0.6868000      0.9380000    
 H    6.519100      0.1590000     -0.3083000    
 H    4.842700       2.719800     -0.1390000    
 H    4.151700      0.8587000      -2.124500    
 H    4.770600      0.3353000       1.814500    
 H    4.155300      -1.217700      0.1300000    
 H    3.142100       2.930100       1.755800    
 H    4.442400       2.557900       2.912800    
 H    5.953600       2.286700      -2.100700    
 H    7.037600       2.725900      0.5047000    
 H    4.413000      -1.346200      -2.642200    
 H   -1.699000      0.7839000      0.7654000    
 H   -1.697300       1.529500      -1.620000    
 H   -2.052500     -0.1289000      -2.170000    
 H    2.879700      -2.974000      0.4129000    
 H    2.089600       1.025100       2.466900    
 H   -1.199700      -3.203800       1.723700    
 H   -4.192200     -0.8532000      -1.574200    
 H   -3.509700       1.964100       1.620500    
 H   -5.908500       2.512200       1.644800    
 H    2.142100      -4.459100       1.842200    
 H   -7.651700     -5.5199999E-02  -1.609500    
 H   -8.266400      0.8300000       1.981800    
 H   -8.515000     -0.3752000      0.6770000    
 H   -9.594100       1.030100      0.8174000    


%chk=000129663-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129663

0 1
O 4.466570 0.371069 1.318157
O 2.217065 0.713807 0.665096
O 5.789709 2.168032 -2.272431
O 7.650186 0.718765 -0.613597
O 3.032078 1.326577 -2.022632
O -2.373580 -0.921904 0.817751
O 6.171037 -0.832231 3.154140
O 0.389038 1.424065 -1.288073
O 1.001077 -3.343888 3.127018
O -8.326092 0.019533 -1.216487
O -6.562592 -1.780313 -2.102728
C 5.326218 1.129121 -1.350694
C 6.309974 1.109300 -0.173055
C 3.898471 1.400060 -0.863397
C 5.863093 0.070380 0.875743
C 3.529330 0.338226 0.188186
C 6.702708 0.099905 2.156118
C 1.308184 -0.280135 1.041142
C -0.037260 -0.116379 0.572602
C -2.804399 0.418669 0.280779
C -1.902155 0.774192 -0.909113
C -1.016993 -1.025671 1.113410
C -0.412992 0.763364 -0.549767
C 1.692583 -1.338469 1.877915
C -4.273302 0.322794 -0.060265
C -0.654804 -2.097506 1.949345
C 0.699091 -2.262115 2.301187
C -4.739531 -0.706215 -0.918841
C -5.180336 1.282688 0.441000
C -6.096477 -0.763545 -1.267277
C -6.550611 1.239395 0.084427
C -7.005321 0.217580 -0.768304
C -9.350551 0.960430 -0.757701
H 5.339739 0.139840 -1.860882
H 6.327457 2.123157 0.282898
H 3.842325 2.392311 -0.366085
H 5.890296 -0.945456 0.426723
H 3.500602 -0.683599 -0.254417
H 6.732638 1.136204 2.554102
H 7.727217 -0.231923 1.932444
H 5.084336 2.284305 -2.960821
H 7.865418 1.269693 -1.410723
H 2.069170 1.454480 -1.738498
H -2.647910 1.152444 1.098428
H -2.160156 1.770529 -1.307395
H -2.063483 0.050058 -1.732801
H 2.730291 -1.405481 2.223536
H 5.225827 -0.570688 3.306148
H -1.415484 -2.782132 2.328976
H -4.065962 -1.481481 -1.295741
H -4.825200 2.071559 1.113616
H -7.240005 1.991855 0.478433
H 1.968099 -3.385457 3.334698
H -7.540923 -1.659585 -2.232951
H -9.117878 1.989486 -1.091335
H -9.444604 0.934200 0.344511
H -10.288226 0.620903 -1.220720


