%chk=000017351.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017351

0 1
 O    6.083900      0.1841000     -3.7200000E-02
 O    7.469400      -1.650200      8.1500001E-02
 C   -2.696700     -0.4721000      0.1439000    
 C   -3.983800      0.3598000      0.1227000    
 C   -1.422600      0.3741000      8.2699999E-02
 C   -5.292700     -0.4373000      0.1550000    
 C  -0.1700000     -0.5039000      0.1312000    
 C   -6.542000      0.4430000      7.2800003E-02
 C    1.136400      0.2943000      5.9700001E-02
 C   -7.846900     -0.3594000      2.6600000E-02
 C    2.389100     -0.5786000      0.1830000    
 C   -9.127400      0.4641000     -0.1489000    
 C    3.691900      0.2106000      4.1999999E-02
 C   -10.40250     -0.3801000     -0.1355000    
 C    4.942900     -0.6569000      7.7900000E-02
 C   -11.64160      0.4823000     -0.3202000    
 C    7.295700     -0.4442000     -2.1600001E-02
 C    8.389300      0.5591000     -0.1486000    
 C    8.206400       1.948300      0.3817000    
 C    9.521300      0.1630000     -0.7487000    
 H   -2.709600      -1.168800     -0.7034000    
 H   -2.685400      -1.082500       1.055200    
 H   -3.971900       1.049400      0.9762000    
 H   -3.977800      0.9850000     -0.7794000    
 H   -1.420200      0.9680000     -0.8390000    
 H   -1.409100       1.079200      0.9224000    
 H   -5.328400      -1.034400       1.074300    
 H   -5.295500      -1.145400     -0.6827000    
 H  -0.1790000      -1.091400       1.057800    
 H  -0.1955000      -1.221200     -0.6985000    
 H   -6.566500       1.123300      0.9326000    
 H   -6.480700       1.069600     -0.8254000    
 H    1.145500       1.045700      0.8589000    
 H    1.167500      0.8418000     -0.8903000    
 H   -7.927600     -0.9462000      0.9504000    
 H   -7.786600      -1.084200     -0.7953000    
 H    2.358000      -1.357000     -0.5894000    
 H    2.379800      -1.092800       1.151800    
 H   -9.066600       1.018100      -1.093800    
 H   -9.180700       1.211500      0.6524000    
 H    3.681700      0.7769000     -0.8983000    
 H    3.753300      0.9651000      0.8367000    
 H   -10.36010      -1.128100     -0.9355000    
 H   -10.47780     -0.9232000      0.8136000    
 H    4.988400      -1.207700       1.024500    
 H    4.927500      -1.370800     -0.7539000    
 H   -11.72850       1.221500      0.4826000    
 H   -11.61020       1.014600      -1.276200    
 H   -12.54170     -0.1403000     -0.3075000    
 H    7.442400       2.482500     -0.1923000    
 H    7.895400       1.916400       1.431000    
 H    9.131500       2.532300      0.3293000    
 H    10.35610      0.8455000     -0.8732000    
 H    9.649500     -0.8425000      -1.136000    


%chk=000017351-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017351

0 1
O 6.158940 0.232942 0.021393
O 7.512384 -1.664214 0.044066
C -2.738481 -0.494303 -0.004388
C -4.013869 0.378258 -0.005948
C -1.431457 0.330336 -0.002432
C -5.320590 -0.446852 -0.007466
C -0.157371 -0.544148 -0.000192
C -6.596279 0.425402 -0.008624
C 1.149987 0.279596 0.003032
C -7.903189 -0.399660 -0.010411
C 2.421233 -0.598924 0.006195
C -9.178939 0.472563 -0.011181
C 3.725127 0.233553 0.010787
C -10.486114 -0.352944 -0.013103
C 4.964032 -0.661473 0.016173
C -11.754874 0.527260 -0.013470
C 7.401420 -0.412096 0.035885
C 8.528250 0.581188 0.040695
C 8.201503 2.060085 0.022593
C 9.795360 0.082901 0.061428
H -2.749681 -1.160634 -0.892397
H -2.752089 -1.160890 0.883397
H -4.002916 1.044722 0.882013
H -4.000802 1.044760 -0.893844
H -1.417572 0.996497 -0.890490
H -1.420409 0.996713 0.885512
H -5.333664 -1.113503 0.880321
H -5.331873 -1.113269 -0.895450
H -0.172754 -1.210772 0.887455
H -0.168971 -1.210022 -0.888454
H -6.585307 1.091612 0.879532
H -6.583238 1.092307 -0.896226
H 1.162019 0.945153 0.891222
H 1.166333 0.945387 -0.884914
H -7.916219 -1.066732 0.877127
H -7.914502 -1.065751 -0.898704
H 2.407512 -1.263788 -0.882454
H 2.402144 -1.264797 0.894006
H -9.167465 1.139774 -0.898639
H -9.169337 1.138628 0.877157
H 3.753985 0.891942 -0.878856
H 3.747190 0.892421 0.900274
H -10.494849 -1.017893 -0.900985
H -10.496443 -1.019489 0.873564
H 5.008762 -1.310334 0.910827
H 5.016784 -1.310240 -0.878140
H -11.784092 1.179407 0.879984
H -11.782259 1.181286 -0.905608
H -12.675231 -0.085507 -0.015066
H 7.613693 2.324707 -0.874713
H 7.582361 2.339622 0.893749
H 9.124463 2.664394 0.033365
H 10.668774 0.743853 0.066639
H 9.965882 -0.999138 0.073371


