%chk=000001412.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001412

0 1
 O  -0.9867000      -1.911800      -3.090200    
 O    4.302400       2.350200       1.985800    
 O   -7.526400     -0.4719000       1.854800    
 O   -6.051700       1.151200       2.462800    
 C    1.684100      -2.460500       1.000100    
 C    1.690300      -2.542800     -0.5297000    
 C    3.050900      -2.754200       1.628600    
 C   0.3149000      -2.212100      -1.104900    
 C    4.122300      -1.810900       1.163100    
 C   0.3152000      -2.242300      -2.626100    
 C    5.433200      0.3291000       1.261400    
 C    4.380600     -0.6318000       1.747600    
 C    4.857900       1.694700      0.8480000    
 C   -4.197800      0.3716000      0.4311000    
 C   -3.403000     -0.1680000     -0.7624000    
 C    3.856300       1.582700     -0.2757000    
 C   -5.525000     -0.3624000      0.6237000    
 C   -2.139400      0.6166000     -0.9726000    
 C  -0.5908000       2.038000      -2.426800    
 C    2.571500       1.968400     -0.2282000    
 C   -1.837400       1.252200      -2.115800    
 C   0.3744000       2.197500      -1.287300    
 C    1.658200       1.811000      -1.337800    
 C   -6.354100      0.2054000       1.750600    
 H   0.9548000      -3.176400       1.398800    
 H    1.347800      -1.462900       1.310700    
 H    2.422500      -1.841000     -0.9452000    
 H    1.991200      -3.549700     -0.8428000    
 H    2.957900      -2.704000       2.720600    
 H    3.358400      -3.780400       1.395000    
 H  -0.4381000      -2.913100     -0.7239000    
 H   3.8999999E-03  -1.220600     -0.7628000    
 H    4.688600      -2.108300      0.2841000    
 H   0.5763000      -3.238100      -2.997800    
 H    1.023600      -1.512400      -3.030900    
 H    5.990400     -0.1029000      0.4205000    
 H    6.149300      0.4718000       2.080100    
 H    3.808000     -0.3361000       2.623300    
 H    5.681300       2.326300      0.4931000    
 H   -3.598700      0.2892000       1.347400    
 H   -4.395100       1.442200      0.2870000    
 H   -3.137800      -1.216800     -0.5834000    
 H   -4.028700     -0.1455000      -1.662700    
 H    4.240600       1.142300      -1.194900    
 H   -5.330700      -1.418700      0.8411000    
 H   -6.117200     -0.2932000     -0.2960000    
 H   -1.448900      0.6349000     -0.1343000    
 H  -0.9557000      -1.927300      -4.061900    
 H  -9.8899998E-02   1.566900      -3.286600    
 H  -0.8959000       3.040700      -2.750500    
 H    2.168700       2.410800      0.6787000    
 H   -2.552300       1.199500      -2.935300    
 H    5.006800       2.432400       2.651100    
 H  -5.1000002E-03   2.682400     -0.3896000    
 H    2.042600       1.342500      -2.240200    
 H   -8.092200     -0.1152000       2.572400    


%chk=000001412-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001412

0 1
O -2.162882 -3.186274 -2.248266
O 4.597011 2.576135 1.881059
O -5.858623 -2.447569 1.035725
O -3.707925 -2.154363 1.846803
C 0.950327 -2.006672 1.445807
C 0.792537 -2.864334 0.168708
C 2.331426 -2.137437 2.148422
C -0.583722 -2.633628 -0.494960
C 3.476245 -1.507048 1.377536
C -0.839392 -3.551021 -1.691464
C 5.231514 0.315566 1.014287
C 4.086110 -0.350006 1.744713
C 4.976142 1.822397 0.672295
C -3.341740 -0.058099 -0.255945
C -2.867167 0.444644 -1.643967
C 3.907269 2.023279 -0.373229
C -4.298018 -1.267053 -0.388049
C -1.736661 1.447657 -1.551613
C -0.530192 3.636021 -2.144874
C 2.706960 2.640347 -0.174027
C -1.704785 2.658467 -2.165665
C 0.482606 3.399373 -1.046037
C 1.719284 2.847460 -1.233157
C -4.541382 -1.964911 0.929779
H 0.155601 -2.295267 2.163290
H 0.780277 -0.939967 1.196589
H 1.599280 -2.622301 -0.552699
H 0.911137 -3.936502 0.433397
H 2.267263 -1.659151 3.145059
H 2.538934 -3.214397 2.322435
H -1.387448 -2.783560 0.252091
H -0.648883 -1.583154 -0.838194
H 3.807318 -2.018887 0.459881
H -0.838369 -4.614515 -1.368621
H -0.048632 -3.414049 -2.460590
H 5.464796 -0.230164 0.079172
H 6.149281 0.272720 1.643128
H 3.737597 0.167979 2.650782
H 5.934252 2.229671 0.269859
H -2.465889 -0.367288 0.343811
H -3.831029 0.764822 0.299505
H -2.520239 -0.442234 -2.216832
H -3.717026 0.876725 -2.209108
H 4.161927 1.631335 -1.369617
H -3.822617 -2.012342 -1.062187
H -5.265673 -0.983697 -0.836182
H -0.865048 1.139792 -0.951729
H -2.360796 -3.758069 -3.032054
H -0.023941 3.599453 -3.132908
H -0.937155 4.665218 -2.053421
H 2.477576 3.018839 0.830255
H -2.571943 2.973234 -2.768413
H 5.319543 2.481538 2.551663
H 0.174588 3.682588 -0.028015
H 2.010217 2.539738 -2.250725
H -5.952544 -2.931840 1.901699


