%chk=000157566.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157566

0 1
 O  -0.2342000     -0.7830000     -7.3500000E-02
 O   -1.916700      -2.176500     -0.8324000    
 C   -2.939400      0.9778000     -0.3541000    
 C   -3.860300     -0.1739000     -0.1366000    
 C   -2.466300     -0.2370000      0.3892000    
 C   -3.231800       2.227700      0.4060000    
 C   -2.349800       1.233200      -1.701300    
 C   -4.960900     -5.6800000E-02  0.8387000    
 C   -1.525300      -1.179400     -0.2431000    
 C   -6.196400      0.4376000      0.6313000    
 C   -7.210800      0.4870000       1.739900    
 C   -6.671100      0.9734000     -0.6897000    
 C   0.7527000      -1.640400     -0.6558000    
 C    2.115300      -1.073200     -0.3855000    
 C    2.803500      -1.442800      0.7673000    
 C    2.685900     -0.1803000      -1.289100    
 C    4.070400     -0.9161000       1.018200    
 C    3.953000      0.3463000      -1.038300    
 C    4.645200     -2.1600001E-02  0.1153000    
 C    2.209400      -2.398200       1.750000    
 C    1.965200      0.2290000      -2.532000    
 C    5.999800      0.5415000      0.3837000    
 C    5.959600       1.824200       1.173300    
 C    6.403100       3.001500      0.7184000    
 H   -4.111000     -0.7848000     -0.9982000    
 H   -2.318200     -0.1277000       1.460200    
 H   -2.363800       2.897000      0.3812000    
 H   -4.075200       2.766700     -3.8899999E-02
 H   -3.454500       2.053700       1.464400    
 H   -1.338500       1.643000      -1.609300    
 H   -2.958000       1.959500      -2.252200    
 H   -2.296000      0.3322000      -2.321800    
 H   -4.734300     -0.4307000       1.836300    
 H   -7.522400       1.520700       1.922200    
 H   -8.094600     -0.1009000       1.471500    
 H   -6.819000      8.7399997E-02   2.681300    
 H   -7.538800      0.4038000      -1.038200    
 H   -6.964500       2.023300     -0.5868000    
 H   -5.907000      0.9204000      -1.470500    
 H   0.6492000      -2.652200     -0.2474000    
 H   0.5645000      -1.741400      -1.730700    
 H    4.613100      -1.200300       1.916800    
 H    4.404500       1.044000      -1.739900    
 H    2.812700      -2.462500       2.662600    
 H    2.157400      -3.405500       1.324300    
 H    1.210100      -2.075300       2.059600    
 H   0.9604000      0.5977000      -2.302400    
 H    2.485500       1.043900      -3.047900    
 H    1.900200     -0.6094000      -3.232900    
 H    6.602800     -0.1885000      0.9393000    
 H    6.532500      0.6860000     -0.5657000    
 H    5.556800       1.777100       2.182300    
 H    6.351700       3.886600       1.343000    
 H    6.820600       3.103400     -0.2771000    


%chk=000157566-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157566

0 1
O -0.278995 -0.018790 -0.734655
O -1.894885 -1.150377 -1.987623
C -3.592526 1.527322 -1.526744
C -4.007500 0.475158 -0.484321
C -2.489629 0.832936 -0.665677
C -3.818940 3.011345 -1.238551
C -3.741492 1.161289 -3.002169
C -4.700117 0.798697 0.788901
C -1.585859 -0.205535 -1.213718
C -5.570174 -0.002475 1.474797
C -6.208564 0.478442 2.767779
C -5.982488 -1.399739 1.047020
C 0.734268 -1.031085 -1.220220
C 2.032399 -0.767479 -0.500216
C 2.329354 -1.455573 0.713290
C 2.963798 0.176534 -1.029537
C 3.560902 -1.203716 1.364419
C 4.182401 0.402902 -0.349591
C 4.502273 -0.285211 0.845404
C 1.347920 -2.441775 1.327431
C 2.661504 0.951460 -2.302454
C 5.841532 -0.056088 1.548916
C 6.212985 1.408224 1.700210
C 7.370199 1.967268 1.265307
H -4.248037 -0.496813 -0.930311
H -2.032174 1.456056 0.108030
H -3.153265 3.627946 -1.870731
H -4.864180 3.292987 -1.468086
H -3.621080 3.278896 -0.186231
H -3.054019 1.763431 -3.626640
H -4.774955 1.372217 -3.336367
H -3.522683 0.096324 -3.183526
H -4.482856 1.788762 1.216458
H -7.314474 0.480886 2.689762
H -5.954145 -0.194958 3.610870
H -5.882628 1.498962 3.034138
H -5.748493 -2.133011 1.844337
H -7.077802 -1.450292 0.885160
H -5.487691 -1.739406 0.123467
H 0.325074 -2.035194 -1.021866
H 0.818970 -0.911584 -2.313622
H 3.787226 -1.733065 2.299014
H 4.894864 1.133448 -0.751892
H 1.703183 -2.784696 2.313926
H 1.213022 -3.339897 0.694094
H 0.349670 -1.987857 1.466260
H 1.687459 1.469632 -2.237007
H 3.439009 1.710239 -2.493185
H 2.620517 0.288959 -3.188995
H 5.798307 -0.526759 2.552125
H 6.649564 -0.574067 0.994056
H 5.466440 2.036955 2.209215
H 7.588279 3.030146 1.418488
H 8.134831 1.375218 0.746062


