%chk=000126969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126969

0 1
 O   -4.186000     -0.2257000      0.5378000    
 O  -0.2751000       2.481900     -0.3469000    
 O  -0.6168000      -1.954500      -2.054400    
 O    2.346300       2.701200      -1.019800    
 O    1.751900      -2.028700     -0.7031000    
 O    5.199700      0.1253000       1.817100    
 O   -3.925400      -2.493000      -1.841700    
 O    4.733600      -2.966300      0.5571000    
 C   -4.810900      0.8209000       1.312000    
 C   -2.953700     -5.4000001E-03 -9.3999999E-03
 C   -2.247500       1.190900      0.1308000    
 C  -0.4441000      0.2671000      -1.200200    
 C   0.9010000      0.4136000      -1.838000    
 C  -0.9889000       1.323200     -0.4682000    
 C   -2.406400      -1.061400     -0.7432000    
 C   -4.025600       2.104400       1.445500    
 C   -1.152700     -0.9244000      -1.337700    
 C   -2.823500       2.284100      0.8944000    
 C    2.052500      0.3352000     -0.8588000    
 C   -5.060400      0.2340000       2.706200    
 C   -6.151400       1.118100      0.6294000    
 C    2.718800       1.496200     -0.4999000    
 C    2.419800     -0.8958000     -0.3388000    
 C    3.779900       1.424200      0.4028000    
 C   -3.140600      -2.314500     -0.8929000    
 C    3.480900     -0.9677000      0.5638000    
 C    4.161000      0.1922000      0.9345000    
 C    4.509000       2.668100      0.7999000    
 C   -2.954700      -3.433500      0.1219000    
 C    3.879800      -2.256500       1.119600    
 C    3.249900      -2.759300       2.411200    
 C    2.979400       3.106000      -2.230900    
 H    1.065100     -0.3594000      -2.601700    
 H   0.9200000       1.321200      -2.450900    
 H   -4.465400       2.916500       2.019500    
 H   -2.291600       3.220000       1.013500    
 H   -5.639300     -0.6949000       2.641000    
 H   -4.113800     -2.7500000E-02   3.194600    
 H   -5.601000      0.9316000       3.355300    
 H   -5.995600       1.497600     -0.3878000    
 H   -6.749100      0.2046000      0.5284000    
 H   -6.741200       1.855600       1.185000    
 H   0.2589000       2.634900      -1.141000    
 H   -1.226200      -2.708500      -2.090300    
 H    4.593800       2.737600       1.890100    
 H    5.509400       2.679800      0.3548000    
 H    3.996800       3.583700      0.4893000    
 H   -3.912100      -3.642000      0.6059000    
 H   -2.230400      -3.139700      0.8868000    
 H   -2.582600      -4.324700     -0.3898000    
 H    2.134900      -2.810500     -0.2748000    
 H    5.703400      0.9536000       1.831400    
 H    2.744100      -3.708800       2.218400    
 H    2.515400      -2.039700       2.784100    
 H    4.030500      -2.888000       3.165200    
 H    3.003400       2.295200      -2.966300    
 H    3.999300       3.446200      -2.028300    
 H    2.411500       3.940900      -2.650500    


%chk=000126969-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126969

0 1
O -4.425517 -0.114355 0.215585
O -0.351696 2.348350 -0.414516
O -0.747738 -2.108334 -2.273273
O 2.207762 2.535838 -1.007319
O 1.970898 -2.230400 -0.456016
O 5.170786 0.336726 2.184767
O -2.823773 -3.364572 -1.982085
O 3.448362 -3.376943 1.145304
C -4.834817 0.827603 1.343125
C -3.112008 -0.067977 -0.255640
C -2.341389 1.104536 -0.079039
C -0.434564 0.040901 -1.279345
C 0.994277 0.040722 -1.822999
C -1.009465 1.146115 -0.602953
C -2.621435 -1.192570 -0.999926
C -4.175398 2.182664 1.149522
C -1.260241 -1.091609 -1.517213
C -2.968706 2.279297 0.524226
C 2.093616 0.128076 -0.766867
C -4.380451 0.167496 2.665999
C -6.365262 0.890646 1.225404
C 2.709952 1.338880 -0.401257
C 2.553372 -1.048562 -0.103934
C 3.729305 1.467296 0.580531
C -3.376477 -2.415913 -1.274000
C 3.609831 -1.005770 0.892771
C 4.163814 0.277686 1.206655
C 4.291671 2.818014 0.982773
C -4.786029 -2.671093 -0.787630
C 4.031285 -2.276164 1.511917
C 5.114315 -2.385011 2.560028
C 2.925113 2.985647 -2.220829
H 1.116418 -0.911641 -2.365436
H 1.116654 0.863027 -2.553454
H -4.687896 3.057605 1.564423
H -2.444915 3.234010 0.427452
H -4.846041 -0.827502 2.786739
H -3.282471 0.056603 2.684916
H -4.674090 0.801239 3.522670
H -6.661130 1.333261 0.259583
H -6.800644 -0.120818 1.299885
H -6.780060 1.511077 2.040314
H 0.595231 2.400494 -0.774625
H -1.502275 -2.861812 -2.309176
H 4.237282 2.980842 2.078924
H 5.345578 2.956759 0.666775
H 3.696495 3.623092 0.524852
H -5.483590 -1.910912 -1.179168
H -4.845520 -2.598013 0.311817
H -5.087755 -3.675876 -1.122287
H 2.436763 -2.980764 0.118507
H 5.462461 1.273547 2.320099
H 5.227730 -3.446303 2.829104
H 4.861318 -1.788251 3.453324
H 6.070189 -1.977973 2.188060
H 2.933259 2.186678 -2.984317
H 3.961875 3.265660 -1.962334
H 2.373742 3.863946 -2.588410


