%chk=000086720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086720

0 1
 O   -2.268200       1.247600      0.7747000    
 O    1.661000      -2.457400     -0.3533000    
 C    2.310100     -0.1953000       1.263500    
 C    3.464900     -0.1333000      0.1696000    
 C    3.406000      0.8545000      -1.042000    
 C   -3.045800      -1.103500     -0.8345000    
 C   -3.511900       1.231000      5.4800000E-02
 C   0.9440000     -0.4384000      0.7134000    
 C   -4.043200     -0.2005000     -9.8499998E-02
 C   -1.652600     -0.8755000     -0.2888000    
 C   -1.358900      0.2693000      0.4681000    
 C    2.688000      -1.404100       2.193400    
 C    2.446700       1.052400       2.196300    
 C  -7.2300002E-02  0.4752000      0.9795000    
 C   0.6780000      -1.558000     -6.7100003E-02
 C    4.613500      0.5272000      -1.955200    
 C    3.571800       2.320300     -0.5962000    
 C    2.134400      0.7263000      -1.889300    
 C  -0.6078000      -1.771700     -0.5686000    
 C   -3.526600      -2.556800     -0.7402000    
 C   -3.329600       1.952800      -1.288700    
 C   -4.501400       2.037800      0.9091000    
 H    4.409900      5.5100001E-02  0.7022000    
 H    3.601000      -1.138300     -0.2494000    
 H   -3.032000     -0.8231000      -1.895600    
 H   -5.007200     -0.2024000     -0.6228000    
 H   -4.223100     -0.6187000      0.9027000    
 H    2.830600      -2.347400       1.660200    
 H    1.914900      -1.568800       2.954200    
 H    3.629700      -1.208200       2.721200    
 H    1.825200      0.9433000       3.094100    
 H    3.480700       1.178000       2.539100    
 H    2.152700       1.984500       1.712200    
 H   8.5400000E-02   1.370000       1.572400    
 H    4.554200     -0.4992000      -2.335200    
 H    5.559800      0.6294000      -1.411800    
 H    4.655400       1.196600      -2.822300    
 H    4.384200       2.430400      0.1300000    
 H    3.804500       2.967400      -1.450600    
 H    2.652900       2.716400     -0.1575000    
 H    2.230100       1.312200      -2.812400    
 H    1.956300     -0.3082000      -2.196200    
 H    1.251600       1.120500      -1.383600    
 H  -0.7926000      -2.645700      -1.187800    
 H   -2.938200      -3.220100      -1.381900    
 H   -3.458200      -2.935300      0.2860000    
 H   -4.569700      -2.641300      -1.064600    
 H   -2.995100       2.984800      -1.129600    
 H   -2.559700       1.482600      -1.908500    
 H   -4.263900       1.977000      -1.859100    
 H   -4.134100       3.057200       1.075600    
 H   -5.488200       2.097000      0.4381000    
 H   -4.616800       1.588100       1.902100    
 H    1.293200      -3.166100     -0.9084000    


%chk=000086720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086720

0 1
O -2.321014 1.269806 0.848793
O 1.653448 -2.500100 -0.449766
C 2.397541 -0.217534 1.254169
C 3.517003 -0.140504 0.144844
C 3.496526 0.860826 -1.065006
C -3.160260 -1.084206 -0.809684
C -3.624912 1.287827 0.099386
C 0.977545 -0.437206 0.683673
C -4.134471 -0.166001 -0.030835
C -1.730720 -0.863273 -0.306565
C -1.393908 0.273414 0.472319
C 2.752503 -1.451294 2.153464
C 2.460034 1.019622 2.192802
C -0.077011 0.462849 0.953276
C 0.632785 -1.569836 -0.116294
C 4.883420 0.705934 -1.759795
C 3.332823 2.348565 -0.652982
C 2.398839 0.507691 -2.106521
C -0.678526 -1.766858 -0.591968
C -3.624233 -2.557735 -0.707393
C -3.382660 1.966749 -1.266680
C -4.546688 2.132162 0.990030
H 4.461657 0.045934 0.700603
H 3.606208 -1.153010 -0.291861
H -3.201031 -0.799227 -1.883340
H -5.123099 -0.162422 -0.528470
H -4.278009 -0.571646 0.990305
H 2.730101 -2.387853 1.574397
H 2.034479 -1.536155 2.990342
H 3.765786 -1.325770 2.580989
H 1.787729 0.886406 3.061007
H 3.489889 1.125665 2.580774
H 2.194213 1.965206 1.695106
H 0.100308 1.357871 1.554365
H 5.061059 -0.343248 -2.064103
H 5.705361 1.007305 -1.082288
H 4.939235 1.338124 -2.666367
H 4.031450 2.625732 0.158692
H 3.542281 3.004932 -1.520016
H 2.303401 2.566637 -0.317140
H 2.522501 1.130744 -3.013932
H 2.466033 -0.554683 -2.405792
H 1.385544 0.685482 -1.708438
H -0.891576 -2.656414 -1.201501
H -3.017006 -3.230934 -1.338258
H -3.558681 -2.916621 0.336022
H -4.674778 -2.652265 -1.040632
H -3.050533 3.008243 -1.114540
H -2.602044 1.444287 -1.846231
H -4.312010 1.979446 -1.865946
H -4.100920 3.126878 1.163995
H -5.532696 2.267654 0.509979
H -4.693006 1.644489 1.969434
H 1.273690 -3.234088 -0.993624


