%chk=000172097.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172097

0 1
 O   -2.850500      -1.213400     -0.8014000    
 O   -5.419300     -0.4445000      8.5000005E-03
 O   -8.394200       1.519900     -0.3398000    
 O   -6.302400       2.108300      0.3427000    
 C    5.814800      0.2494000     -2.5699999E-02
 C    7.154900      0.7015000      0.5625000    
 C    4.641000      0.7563000      0.8171000    
 C    8.374600      0.1981000     -0.2314000    
 C    3.301700      0.2782000      0.2472000    
 C    2.098000      0.7412000       1.075500    
 C    8.416500      0.7552000      -1.655000    
 C    8.368800      -1.332000     -0.2761000    
 C   0.7755000      0.2185000      0.5735000    
 C   6.3600004E-02  0.9539000     -0.3616000    
 C   0.2935000     -0.9885000       1.056500    
 C   -1.160100      0.4706000     -0.8251000    
 C  -0.9301000      -1.471800      0.5929000    
 C   -1.656900     -0.7423000     -0.3479000    
 C   -3.615400      -2.015900      9.6699998E-02
 C   -5.090300      -1.813800     -0.1926000    
 C   -6.789200     -0.1919000     -0.2705000    
 C   -7.094600       1.263100     -4.6100002E-02
 H    5.702000      0.6220000      -1.049500    
 H    5.760100     -0.8434000     -6.5200001E-02
 H    7.182800       1.797600      0.6048000    
 H    7.233200      0.3479000       1.598500    
 H    4.654800       1.852300      0.8502000    
 H    4.746500      0.3988000       1.848400    
 H    9.277700      0.5291000      0.2962000    
 H    3.194400      0.6382000     -0.7840000    
 H    3.304600     -0.8182000      0.1941000    
 H    2.230900      0.4326000       2.120900    
 H    2.069500       1.838600       1.099600    
 H    8.362500       1.848800      -1.645500    
 H    7.596600      0.3768000      -2.273400    
 H    9.354200      0.4726000      -2.146000    
 H    7.583000      -1.730700     -0.9251000    
 H    8.243700      -1.757000      0.7254000    
 H    9.323900      -1.697500     -0.6704000    
 H   0.4431000       1.898600     -0.7406000    
 H   0.8566000      -1.567500       1.783000    
 H   -1.721900       1.043200      -1.558100    
 H   -1.266700      -2.433900      0.9677000    
 H   -3.443100      -1.718400       1.139200    
 H   -3.346300      -3.068800     -3.9900001E-02
 H   -5.692400      -2.443300      0.4718000    
 H   -5.301700      -2.080100      -1.234700    
 H   -7.001000     -0.4348000      -1.317200    
 H   -7.417200     -0.7873000      0.4008000    
 H   -8.620800       2.464400     -0.2023000    


%chk=000172097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172097

0 1
O -2.954432 -0.494639 -0.488523
O -5.927224 -0.636637 0.093262
O -9.194892 0.752144 -0.694744
O -7.887170 1.013770 1.216977
C 5.971617 0.130654 -0.060334
C 7.394463 0.520108 0.405705
C 4.869511 0.748425 0.830965
C 8.570993 -0.054139 -0.435758
C 3.440444 0.358502 0.393294
C 2.339163 0.998284 1.284502
C 8.550762 0.453213 -1.898777
C 8.628029 -1.600807 -0.387987
C 0.931562 0.602184 0.864397
C 0.282780 1.253701 -0.220575
C 0.236723 -0.447853 1.509491
C -1.002730 0.871746 -0.645112
C -1.055959 -0.850676 1.099123
C -1.676781 -0.185946 0.014001
C -3.702554 -1.567189 0.178861
C -5.059863 -1.663786 -0.498488
C -7.172368 -0.495784 -0.632863
C -8.061561 0.495881 0.102229
H 5.813298 0.459386 -1.106996
H 5.860951 -0.972426 -0.056534
H 7.473477 1.627908 0.412413
H 7.522571 0.193315 1.459490
H 4.967931 1.854707 0.822004
H 5.029751 0.432631 1.883622
H 9.504432 0.325797 0.032885
H 3.276350 0.663038 -0.660413
H 3.329192 -0.744461 0.417948
H 2.518444 0.699517 2.336246
H 2.452364 2.100484 1.244543
H 8.505849 1.558099 -1.939430
H 7.676934 0.057844 -2.449556
H 9.459080 0.129248 -2.440668
H 7.754617 -2.051294 -0.895154
H 8.642508 -1.968814 0.655390
H 9.536572 -1.976854 -0.894690
H 0.790998 2.079108 -0.734722
H 0.708813 -0.963700 2.355027
H -1.506591 1.379489 -1.473508
H -1.559089 -1.663293 1.631798
H -3.842629 -1.337520 1.253844
H -3.152642 -2.526226 0.077372
H -5.501351 -2.670813 -0.327401
H -4.939750 -1.505164 -1.591392
H -7.010776 -0.126544 -1.668543
H -7.727410 -1.459039 -0.708380
H -9.795509 1.385122 -0.216243


