%chk=000131367.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131367

0 1
 O   -2.917700      -1.739300       1.274300    
 O   -1.069600      -1.508900      -3.110800    
 O   -1.557700      -3.151200      -1.622100    
 C   -1.755700     -0.9286000       1.491000    
 C   -3.137500     -0.3423000       1.508300    
 C   -1.055000      -1.218200       2.763100    
 C   -3.656600      0.3970000      0.3118000    
 C  -0.3488000      8.1000002E-03   3.332700    
 C   -3.061000       1.762800      0.1231000    
 C   -2.354500       2.127200     -0.9575000    
 C   -1.769000       3.496000      -1.147900    
 C  -0.2753000       3.441500      -1.298200    
 C   0.5776000       3.525000     -0.2643000    
 C   0.9776000      -3.154700     -0.4623000    
 C    2.424300      -3.086400      4.2900000E-02
 C    2.082100       3.482300     -0.3029000    
 C   0.6562000      -2.185600      -1.599600    
 C    2.781300      -1.747200      0.6191000    
 C    4.160700      0.3425000      0.7511000    
 C    2.722900       2.380700      0.4906000    
 C    3.811400      -1.003700      0.1885000    
 C    3.526900       1.447900     -4.1900001E-02
 C  -0.7628000      -2.344900      -2.088800    
 H   -1.098900     -0.7319000      0.6560000    
 H   -3.577400     -3.5100002E-02   2.446700    
 H   -1.752800      -1.601700       3.517700    
 H  -0.3148000      -2.007900       2.593000    
 H   -4.742000      0.5100000      0.4213000    
 H   -3.507800     -0.2061000     -0.5937000    
 H   -1.065800      0.8065000       3.549500    
 H   0.1736000     -0.2479000       4.259500    
 H   0.3845000      0.4009000       2.620400    
 H   -3.228200       2.482300      0.9209000    
 H   -2.197400       1.407800      -1.758200    
 H   -2.198700       3.948600      -2.049200    
 H   -2.039200       4.159000     -0.3163000    
 H   0.1187000       3.307000      -2.302300    
 H   0.1519000       3.654100      0.7306000    
 H   0.2911000      -2.979100      0.3747000    
 H   0.7838000      -4.181600     -0.7990000    
 H    2.558600      -3.842400      0.8258000    
 H    3.104500      -3.355600     -0.7744000    
 H    2.451500       4.436700      9.3300000E-02
 H    2.417800       3.441800      -1.347200    
 H    1.329900      -2.369600      -2.443500    
 H   0.7774000      -1.150200      -1.264300    
 H    2.164500      -1.382300       1.436600    
 H    5.250200      0.4623000      0.7278000    
 H    3.868400      0.3983000       1.807200    
 H    2.508500       2.354900       1.556500    
 H    4.425500      -1.365500     -0.6327000    
 H    3.752200       1.484500      -1.105500    
 H   -1.994200      -1.627800      -3.416500    


%chk=000131367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131367

0 1
O -3.945503 -1.640788 2.001306
O -0.609433 -1.858343 -3.460145
O -1.414805 -1.765147 -1.290226
C -2.476287 -1.237224 1.945988
C -3.540426 -0.202110 1.752997
C -1.692812 -1.357714 3.240104
C -3.873655 0.370442 0.379657
C -0.389168 -0.524646 3.189533
C -3.219246 1.723776 0.170572
C -2.372020 2.034374 -0.844249
C -1.732344 3.401315 -1.047887
C -0.233675 3.317932 -1.294591
C 0.722369 3.748487 -0.432620
C 1.149754 -3.054879 -0.432987
C 2.617725 -3.080168 0.084932
C 2.222378 3.645098 -0.671152
C 0.997782 -2.157145 -1.682535
C 3.049573 -1.742710 0.652195
C 4.289798 0.490612 0.597727
C 2.865665 2.572648 0.197173
C 3.927935 -0.888174 0.065386
C 3.684421 1.592040 -0.262781
C -0.444676 -1.919913 -2.068137
H -1.979790 -1.598552 1.034119
H -3.769634 0.452168 2.609826
H -2.329687 -1.024189 4.081500
H -1.453525 -2.423318 3.425625
H -4.976843 0.468799 0.304237
H -3.549628 -0.343761 -0.398156
H -0.610432 0.549464 3.050958
H 0.190902 -0.639845 4.123158
H 0.253304 -0.840697 2.345841
H -3.464550 2.501999 0.912641
H -2.115130 1.256891 -1.580566
H -2.207976 3.895515 -1.923073
H -1.938321 4.042077 -0.169622
H 0.077136 2.857777 -2.246664
H 0.412548 4.189656 0.528243
H 0.475640 -2.685350 0.363004
H 0.825442 -4.085425 -0.673693
H 2.695429 -3.861827 0.866568
H 3.295405 -3.380042 -0.738738
H 2.689150 4.627815 -0.445354
H 2.425695 3.430631 -1.737288
H 1.539016 -2.573604 -2.549256
H 1.447683 -1.165597 -1.466114
H 2.567354 -1.440700 1.596428
H 5.395280 0.596977 0.611071
H 3.940025 0.599388 1.641465
H 2.618553 2.605040 1.270072
H 4.402236 -1.182155 -0.885343
H 3.924179 1.553717 -1.337473
H -1.567615 -1.680613 -3.668773


