%chk=000081606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081606

0 1
 O    3.644600      -1.254700      -1.295600    
 O   -3.887500      -1.878300      0.5217000    
 C    3.207100     -0.3176000     -0.3121000    
 C   -3.480600     -0.5571000      0.1993000    
 C    3.690800       1.075400     -0.7299000    
 C    3.912600     -0.6188000       1.022900    
 C   -4.017400      0.4409000       1.223300    
 C   -4.166000     -0.1018000      -1.086700    
 C    5.060400       1.196100     -7.6499999E-02
 C    4.837100      0.5702000       1.288600    
 C   -4.082600       1.772400      0.4784000    
 C   -4.179100       1.423200      -1.007700    
 C    1.745000     -0.3701000     -0.2002000    
 C   -2.014700     -0.5048000      8.7300003E-02
 C   0.5488000     -0.4130000     -0.1086000    
 C  -0.8185000     -0.4620000     -4.1999999E-03
 H    3.035500       1.864400     -0.3386000    
 H    3.761400       1.196000      -1.816100    
 H    4.508200      -1.537500      0.9568000    
 H    3.218700     -0.7390000       1.863000    
 H   -3.401300      0.5090000       2.126900    
 H   -5.024200      0.1478000       1.548300    
 H   -5.196600     -0.4789000      -1.123700    
 H   -3.667600     -0.4582000      -1.995300    
 H    5.398400       2.234000     -8.0000004E-03
 H    5.807200      0.6262000     -0.6417000    
 H    5.773400      0.2675000       1.766500    
 H    4.337200       1.286900       1.951500    
 H   -3.177300       2.361700      0.6646000    
 H   -4.936400       2.371400      0.8111000    
 H   -5.084800       1.836000      -1.463700    
 H   -3.321500       1.843400      -1.545700    
 H    3.401800      -2.146100     -0.9909000    
 H   -3.664700      -2.453900     -0.2303000    


%chk=000081606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081606

0 1
O 3.613511 -0.611735 -1.554171
O -3.966766 -1.740266 1.053789
C 3.195156 -0.061617 -0.228119
C -3.567271 -0.500519 0.343780
C 3.744580 1.390311 -0.229216
C 3.987964 -0.767556 0.928168
C -4.182877 0.695677 1.117474
C -4.240100 -0.373102 -1.065319
C 5.250949 1.188019 0.050260
C 5.285603 0.079390 1.142296
C -4.199532 1.845767 0.083528
C -4.443320 1.155442 -1.303891
C 1.736178 -0.155894 -0.082869
C -2.098172 -0.410757 0.246877
C 0.501344 -0.247439 0.022005
C -0.861800 -0.336037 0.139886
H 3.262013 1.961305 0.585386
H 3.524055 1.885115 -1.188927
H 4.207813 -1.810843 0.638153
H 3.374212 -0.804182 1.845506
H -3.625138 0.932746 2.037836
H -5.207710 0.390724 1.401134
H -5.212145 -0.895169 -0.990746
H -3.648997 -0.856344 -1.862252
H 5.749959 2.119081 0.372400
H 5.743813 0.832096 -0.871117
H 6.199738 -0.535273 1.074085
H 5.271096 0.537311 2.148590
H -3.223564 2.364048 0.082592
H -4.971316 2.598614 0.320231
H -5.463059 1.355436 -1.678081
H -3.738925 1.543914 -2.059777
H 3.251790 -1.532203 -1.634681
H -3.481681 -2.505362 0.649889


