%chk=000170798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170798

0 1
 O   -2.982200     -7.8199998E-02   2.498200    
 O   -4.129100      0.1014000      -2.718800    
 C   -2.446100     -0.8140000      0.3326000    
 C  -0.6223000      -2.339000     -0.1227000    
 C   0.5114000      -3.179100      0.3617000    
 C   -2.745000     -0.7660000      -1.030700    
 C   -1.382300      -1.602600      0.7867000    
 C    1.838900      -2.450200      0.4106000    
 C   -4.365100      0.7899000      0.8099000    
 C   -4.664400      0.8375000     -0.5533000    
 C   -3.244900     -3.7500001E-02   1.302600    
 C   -3.865400      6.1099999E-02  -1.523500    
 C  -0.9205000      -2.290800      -1.483000    
 C   -1.979800      -1.506400      -1.939800    
 C    4.262000      -1.119400      0.5007000    
 C    2.659800      -2.469300     -0.7024000    
 C    2.198200      -1.782700       1.567600    
 C    5.568100     -0.4012000      0.5489000    
 C    3.881900      -1.798300     -0.6569000    
 C    3.420200      -1.111600       1.613000    
 C   -5.130200       1.530400       1.718900    
 C   -5.728600       1.625600      -1.007300    
 C    5.492400       1.043400      9.6900001E-02
 C   -6.190000       2.314300       1.262200    
 C   -6.488700       2.361800     -9.8099999E-02
 C    5.228200       2.028300       1.031300    
 C    5.689600       1.342500      -1.239000    
 C    5.158700       3.357900      0.6155000    
 C    5.620300       2.672200      -1.654700    
 C    5.354800       3.679900     -0.7273000    
 H   0.2799000      -3.583400       1.357100    
 H   0.6097000      -4.074500     -0.2681000    
 H   -1.141100      -1.648300       1.845900    
 H  -0.3359000      -2.860500      -2.200600    
 H   -2.192200      -1.486000      -3.005300    
 H    5.981700     -0.4442000       1.566300    
 H    6.311900     -0.9353000     -5.9099998E-02
 H    2.373000      -2.995600      -1.608000    
 H    1.550100      -1.771300       2.438900    
 H    4.528000      -1.813400      -1.530600    
 H    3.704000     -0.5873000       2.521600    
 H   -4.917700       1.510400       2.784500    
 H   -5.981700       1.679600      -2.062700    
 H   -6.783200       2.888500       1.968100    
 H   -7.314300       2.972900     -0.4510000    
 H    5.074800       1.787900       2.079200    
 H    5.897500      0.5652000      -1.968400    
 H    4.952000       4.142600       1.337500    
 H    5.773000       2.923000      -2.700300    
 H    5.300700       4.715200      -1.051000    


%chk=000170798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170798

0 1
O -4.482886 -2.019565 2.001488
O -3.838849 2.169978 -1.539497
C -3.043239 -0.844190 0.458461
C -0.729829 -1.578841 0.028862
C 0.408122 -2.575267 0.251275
C -2.879019 0.240167 -0.452373
C -1.970168 -1.739021 0.685862
C 1.779990 -1.932312 0.438459
C -5.448252 -0.094762 0.908232
C -5.281786 0.987287 -0.005890
C -4.335020 -1.056709 1.182501
C -3.986796 1.202644 -0.725246
C -0.575000 -0.485557 -0.869943
C -1.634479 0.406800 -1.109621
C 4.353681 -0.712448 0.788858
C 2.804822 -2.099853 -0.526808
C 2.060685 -1.142629 1.581412
C 5.732265 -0.085222 0.988506
C 4.069887 -1.497245 -0.357396
C 3.328369 -0.545402 1.753592
C -6.687972 -0.267906 1.572022
C -6.357489 1.878291 -0.241421
C 6.204402 0.804777 -0.162555
C -7.753207 0.622936 1.331826
C -7.587472 1.698821 0.422662
C 5.372496 1.838261 -0.667449
C 7.493537 0.637033 -0.726805
C 5.821575 2.685822 -1.703236
C 7.946746 1.482311 -1.766602
C 7.112214 2.511581 -2.257471
H 0.159657 -3.205401 1.126474
H 0.450230 -3.259737 -0.619750
H -2.132673 -2.562528 1.390643
H 0.387719 -0.339392 -1.372090
H -1.527010 1.247676 -1.802218
H 5.716986 0.507704 1.924600
H 6.481584 -0.886366 1.144567
H 2.610353 -2.709363 -1.418527
H 1.281490 -0.992269 2.338876
H 4.844004 -1.630161 -1.122675
H 3.525180 0.058129 2.648572
H -6.787632 -1.106998 2.267770
H -6.201489 2.700080 -0.947481
H -8.709675 0.484661 1.847103
H -8.416200 2.390386 0.237056
H 4.367597 1.971818 -0.248630
H 8.147730 -0.159102 -0.349033
H 5.167579 3.480931 -2.079480
H 8.946675 1.337112 -2.191300
H 7.460667 3.168438 -3.062383


