%chk=000016614.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016614

0 1
 O   -1.628900      -3.374100       2.873500    
 O  -0.7347000      -1.350100       2.370700    
 C   -1.315600     -0.8482000      -2.112900    
 C   -1.500000      -1.695900     -0.8535000    
 C   -2.629000     -0.2961000      -2.678700    
 C    2.677100      0.7249000      0.1185000    
 C  -0.1926000      -2.307200     -0.3312000    
 C    3.151300       2.130500      0.5045000    
 C    3.673000     -3.4299999E-02 -0.7631000    
 C   -3.448900      0.5881000      -1.731300    
 C    2.136500       2.869600       1.388400    
 C    3.242100      -1.441000      -1.185100    
 C  -0.3403000      -3.231000      0.8797000    
 C   -2.700900       1.777600      -1.206000    
 C   0.7979000       3.186900      0.7786000    
 C    4.241900      -2.134800      -2.097100    
 C   -1.702000       3.186800      0.6052000    
 C   -2.435900       1.982200      9.2399999E-02
 C  -0.4000000       2.799700       1.244200    
 C  -0.8908000      -2.533600       2.103100    
 H  -0.8372000      -1.458700      -2.888900    
 H  -0.6243000     -2.3800001E-02  -1.900800    
 H   -1.948000      -1.089100     -6.0800001E-02
 H   -2.207500      -2.506100      -1.068900    
 H   -3.258600      -1.135300      -3.000300    
 H   -2.395700      0.2765000      -3.585700    
 H    1.722400      0.7926000     -0.4166000    
 H    2.489500      0.1425000       1.029000    
 H   0.4886000      -1.489400     -7.0699997E-02
 H   0.2826000      -2.875600      -1.139700    
 H    4.103500       2.057000       1.043500    
 H    3.340600       2.716100     -0.4035000    
 H    3.863500      0.5599000      -1.666100    
 H    4.630800     -0.1049000     -0.2323000    
 H   -4.329200      0.9548000      -2.273900    
 H   -3.839400     -2.0800000E-02 -0.9072000    
 H    2.587900       3.823000       1.691400    
 H    1.995500       2.296600       2.313900    
 H    2.284100      -1.375300      -1.712700    
 H    3.080700      -2.056600     -0.2928000    
 H   0.6333000      -3.654200       1.148800    
 H   -1.009000      -4.057700      0.6129000    
 H   -2.369300       2.506800      -1.941200    
 H   0.8319000       3.806500     -0.1154000    
 H    4.393600      -1.562500      -3.017700    
 H    3.879800      -3.130800      -2.370200    
 H    5.210100      -2.247800      -1.599400    
 H   -2.326800       3.685800       1.355300    
 H   -1.541500       3.917300     -0.1973000    
 H   -2.773700       1.257000      0.8290000    
 H  -0.4478000       2.189200       2.142800    
 H   -2.001600      -2.918100       3.658100    


%chk=000016614-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016614

0 1
O -1.909796 -2.775499 3.480388
O -1.148289 -0.822174 2.492094
C -1.178870 -1.019430 -1.978477
C -1.574455 -1.820605 -0.717475
C -2.379916 -0.494124 -2.802794
C 2.726683 0.638426 0.014346
C -0.344345 -2.310133 0.080140
C 3.167452 1.921010 0.753509
C 3.761863 0.137304 -1.016916
C -3.331167 0.459027 -2.015542
C 2.097368 2.458125 1.746936
C 3.317953 -1.149644 -1.750627
C -0.714896 -3.015428 1.400934
C -2.610498 1.655217 -1.425085
C 0.850971 2.974386 1.054733
C 4.348781 -1.639800 -2.790112
C -1.647152 3.011555 0.524568
C -2.441053 1.873332 -0.095032
C -0.405529 2.492238 1.239310
C -1.255190 -2.068437 2.457392
H -0.543028 -1.653713 -2.630947
H -0.554671 -0.158573 -1.665398
H -2.189390 -1.178879 -0.058853
H -2.204673 -2.688732 -1.006005
H -2.975629 -1.349153 -3.184160
H -1.993258 0.042670 -3.693125
H 1.758420 0.826022 -0.492501
H 2.534457 -0.161137 0.761427
H 0.308490 -1.444830 0.302686
H 0.248726 -3.009657 -0.541776
H 4.108672 1.721946 1.306338
H 3.402180 2.711633 0.010058
H 3.950228 0.936259 -1.764925
H 4.732811 -0.047681 -0.510352
H -4.127567 0.799369 -2.709142
H -3.837089 -0.101564 -1.206300
H 2.553446 3.276927 2.342431
H 1.821081 1.656975 2.460658
H 2.343964 -0.964533 -2.248946
H 3.135123 -1.949057 -1.002755
H 0.173180 -3.510065 1.844853
H -1.459730 -3.817403 1.242742
H -2.163339 2.361968 -2.143486
H 1.006927 3.800923 0.340708
H 4.526060 -0.869782 -3.564794
H 4.006927 -2.559540 -3.300088
H 5.321320 -1.860664 -2.310569
H -2.292156 3.542950 1.258063
H -1.360550 3.750679 -0.247763
H -2.865763 1.149744 0.619562
H -0.564674 1.648602 1.928417
H -2.221409 -2.132151 4.174151


