%chk=000161893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161893

0 1
 O    4.563200     -0.3148000       1.596100    
 O    1.190900       2.585400     -0.2058000    
 O   0.1030000      -2.812000      0.1880000    
 O    6.457600     -0.3488000      -1.079600    
 O   -2.351400      -2.222800      0.2156000    
 O   -1.293900       3.001700     -0.1509000    
 O   -4.878000      -1.796200      0.2646000    
 C    4.438900     -0.1763000      0.1848000    
 C    4.116500      -1.534400     -0.4344000    
 C    3.366400      0.8610000     -0.1665000    
 C    2.773000      -2.065300      6.4499997E-02
 C    1.951400      0.3369000     -6.8999998E-02
 C    1.671900      -1.038000      4.1000000E-03
 C   0.8896000       1.255600     -0.1016000    
 C   0.3378000      -1.469200      8.0300003E-02
 C    5.790900      0.2924000     -0.2688000    
 C  -0.4379000      0.8166000     -3.6899999E-02
 C  -0.7136000     -0.5457000      5.6800000E-02
 C   -2.109200      -1.025200      0.1315000    
 C   -1.536400       1.804000     -6.7599997E-02
 C    6.289600       1.586500      0.3152000    
 C   -3.208500     -3.9099999E-02  0.1017000    
 C   -2.932100       1.326200      4.9999999E-03
 C   -4.535700     -0.4798000      0.1694000    
 C   -3.982700       2.251000     -2.3700001E-02
 C   -5.579700      0.4452000      0.1407000    
 C   -5.303800       1.807600      4.3900002E-02
 C   -5.077900      -2.502600     -0.9575000    
 H    4.888900      -2.275900     -0.1920000    
 H    4.088400      -1.449700      -1.529500    
 H    3.524300       1.220400      -1.191900    
 H    3.472400       1.707100      0.5248000    
 H    2.877400      -2.406400       1.102000    
 H    2.525400      -2.934800     -0.5563000    
 H    5.168600      -1.053500       1.779500    
 H    5.700300       2.424300     -6.4199999E-02
 H    6.254400       1.560200       1.406600    
 H    7.331600       1.736200      1.6100001E-02
 H    2.049500       2.716100     -0.6373000    
 H   0.8442000      -3.255300      0.6302000    
 H   -3.794000       3.318500     -9.8399997E-02
 H   -6.612900      0.1121000      0.1940000    
 H   -6.118500       2.525700      2.1700000E-02
 H   -5.099000      -3.573100     -0.7358000    
 H   -4.272900      -2.308000      -1.673700    
 H   -6.038900      -2.218000      -1.397200    


%chk=000161893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161893

0 1
O 4.437175 -0.295411 1.734567
O 1.197681 2.631341 -0.397786
O 0.045116 -2.847846 0.012563
O 6.674638 -0.333161 -0.858592
O -2.394616 -2.224652 -0.901178
O -1.377223 3.013450 -0.922629
O -4.865886 -1.825313 0.501908
C 4.491808 -0.182047 0.250237
C 4.193294 -1.534391 -0.413053
C 3.418113 0.865371 -0.108764
C 2.824158 -2.076435 0.040777
C 1.994129 0.325045 -0.175492
C 1.708174 -1.051807 -0.100716
C 0.926391 1.260979 -0.326340
C 0.351865 -1.493065 -0.146048
C 5.917023 0.340733 -0.112997
C -0.426079 0.828836 -0.418203
C -0.716152 -0.575167 -0.329899
C -2.129439 -1.059893 -0.474955
C -1.548718 1.805261 -0.572165
C 6.344471 1.666178 0.496769
C -3.212539 -0.083183 -0.146331
C -2.931027 1.310504 -0.249527
C -4.533591 -0.489361 0.223082
C -3.946918 2.274247 -0.048332
C -5.532057 0.486807 0.454990
C -5.246344 1.861587 0.305986
C -5.366230 -2.639279 -0.628072
H 4.997396 -2.255041 -0.176118
H 4.209105 -1.402025 -1.509913
H 3.680880 1.327508 -1.083454
H 3.497188 1.657212 0.666160
H 2.892062 -2.402315 1.100234
H 2.603997 -2.978224 -0.566873
H 4.997711 -1.063827 2.018450
H 5.871795 2.502115 -0.055680
H 6.018935 1.737878 1.548370
H 7.436596 1.780129 0.418386
H 2.143517 2.815150 -0.165745
H 0.851006 -3.364058 0.267644
H -3.687843 3.330461 -0.166292
H -6.522947 0.143460 0.770190
H -6.032493 2.603924 0.480527
H -5.651997 -3.603458 -0.181134
H -4.561015 -2.783903 -1.366995
H -6.252012 -2.158516 -1.089058


