%chk=000171144.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171144

0 1
 O    5.134000       2.128400     -0.3570000    
 C   -2.814100      0.1326000     -0.2833000    
 C   -1.587700      0.3499000      0.6095000    
 C   -4.143100      0.2486000      0.4669000    
 C  -0.2258000      0.1530000     -6.8099998E-02
 C   -5.359400     -4.7899999E-02 -0.4182000    
 C   0.9982000      0.3044000      0.8409000    
 C   -6.689700      8.8299997E-02  0.3297000    
 C    2.327800      3.7599999E-02  0.1275000    
 C   -7.907900     -0.2655000     -0.5280000    
 C    3.539400      0.2090000       1.052800    
 C   -9.235800     -0.1019000      0.2121000    
 C    4.852000     -0.1319000      0.3901000    
 C   -10.41520     -0.4535000     -0.6819000    
 C    5.585800      0.8452000     -0.2829000    
 C    5.329500      -1.440800      0.4557000    
 C    6.797000      0.5131000     -0.8899000    
 C    6.540600      -1.772800     -0.1515000    
 C    7.274400     -0.7959000     -0.8242000    
 H   -2.794100      0.8588000      -1.104900    
 H   -2.746900     -0.8627000     -0.7394000    
 H   -1.649700     -0.3388000       1.461700    
 H   -1.629100       1.363200       1.028100    
 H   -4.234300       1.259200      0.8834000    
 H   -4.141300     -0.4461000       1.315800    
 H  -0.1414000      0.8655000     -0.8983000    
 H  -0.2050000     -0.8482000     -0.5172000    
 H   -5.272500      -1.065600     -0.8184000    
 H   -5.357600      0.6335000      -1.277600    
 H   0.9009000     -0.3860000       1.687800    
 H    1.007800       1.318500       1.258800    
 H   -6.791400       1.117500      0.6953000    
 H   -6.674600     -0.5616000       1.213400    
 H    2.317300     -0.9812000     -0.2801000    
 H    2.422800      0.7153000     -0.7303000    
 H   -7.812000      -1.301200     -0.8770000    
 H   -7.911900      0.3705000      -1.422000    
 H    3.414200     -0.4276000       1.938800    
 H    3.570500       1.234700       1.441500    
 H   -9.248400     -0.7464000       1.098500    
 H   -9.342000      0.9321000      0.5602000    
 H   -10.44750      0.1960000      -1.562500    
 H   -10.35360      -1.492000      -1.022400    
 H   -11.35500     -0.3306000     -0.1346000    
 H    4.766700      -2.212200      0.9747000    
 H    7.379000       1.263900      -1.417600    
 H    6.912100      -2.792100     -0.1009000    
 H    8.217300      -1.054600      -1.297000    
 H    5.772600       2.661200     -0.8613000    


%chk=000171144-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171144

0 1
O 4.775652 2.067765 -0.496314
C -2.791048 -0.033825 -0.246411
C -1.565048 0.202862 0.663998
C -4.139107 0.189599 0.475477
C -0.213554 -0.026416 -0.049729
C -5.369730 -0.086845 -0.417238
C 1.006074 0.165441 0.879846
C -6.714895 0.132430 0.311546
C 2.357330 -0.069606 0.169910
C -7.948609 -0.170152 -0.568317
C 3.568718 0.088075 1.131707
C -9.291740 0.046467 0.165873
C 4.902681 -0.148051 0.447134
C -10.520192 -0.267663 -0.715124
C 5.486322 0.852065 -0.378506
C 5.604256 -1.370227 0.577698
C 6.716573 0.641639 -1.042855
C 6.834818 -1.602703 -0.081046
C 7.391691 -0.590689 -0.893754
H -2.730478 0.637920 -1.128324
H -2.756137 -1.070309 -0.643172
H -1.630530 -0.470165 1.544882
H -1.597778 1.238546 1.062757
H -4.185019 1.233398 0.851219
H -4.184922 -0.464243 1.371900
H -0.130509 0.666542 -0.912845
H -0.192622 -1.052857 -0.472523
H -5.322450 -1.131238 -0.791277
H -5.327769 0.565786 -1.314536
H 0.918160 -0.527560 1.743533
H 0.988828 1.192079 1.302122
H -6.769646 1.181352 0.671661
H -6.747078 -0.508104 1.218129
H 2.374918 -1.086274 -0.272689
H 2.470872 0.647262 -0.665715
H -7.894621 -1.219283 -0.927971
H -7.920638 0.469919 -1.475269
H 3.454788 -0.623382 1.972824
H 3.541020 1.110262 1.555426
H -9.315044 -0.589035 1.074914
H -9.347403 1.096211 0.520165
H -10.538349 0.376633 -1.614628
H -10.502902 -1.319605 -1.058094
H -11.466221 -0.107031 -0.165681
H 5.173181 -2.152519 1.214506
H 7.146635 1.432688 -1.672218
H 7.353272 -2.559369 0.042313
H 8.344650 -0.753317 -1.409067
H 5.276499 2.708428 -1.059537


