%chk=000127687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127687

0 1
 O   0.4416000       1.366000     -0.2416000    
 O    2.584600     -0.3751000     -0.4986000    
 O    2.181200      -2.499200      -1.469500    
 O    3.526100       2.826400      -1.570900    
 O    2.935600       4.483100      0.7230000    
 O   -1.271200       2.228500       1.087400    
 O   2.3300000E-02   4.744900       1.084200    
 O    4.543100      -3.391000      7.7999998E-03
 O    1.990500      -1.733700       2.025200    
 O    2.057300      -4.876900      0.1946000    
 O   -3.578500      -1.913400       1.558300    
 O   -5.431500      -2.422600     -0.1205000    
 C    1.471700       1.619500      -1.198600    
 C    2.549400       2.513800     -0.5812000    
 C    1.938700       3.809400     -4.6799999E-02
 C   0.7215000       3.525500      0.8335000    
 C  -0.2421000       2.553100      0.1532000    
 C    2.037400      0.2713000      -1.633300    
 C    3.134300      -1.646200     -0.8297000    
 C    3.713700      -2.308300      0.4250000    
 C    2.619500      -2.830200       1.365500    
 C    1.544800      -3.612300      0.6073000    
 C    1.079600      -2.860100     -0.6356000    
 C   -2.234300       1.356600      0.6589000    
 C   -2.423000      0.1520000       1.329500    
 C   -3.017500       1.680700     -0.4444000    
 C   -3.404700     -0.7372000      0.8924000    
 C   -3.999100      0.7914000     -0.8816000    
 C   -4.192700     -0.4174000     -0.2132000    
 C   -5.223400      -1.331700     -0.6856000    
 C   -6.076000     -0.9669000      -1.894800    
 H    1.034800       2.099600      -2.084500    
 H    3.063500       2.009000      0.2468000    
 H    1.670300       4.485400     -0.8679000    
 H    1.046200       3.135100       1.806100    
 H  -0.6887000       3.038700     -0.7245000    
 H    2.801100      0.3936000      -2.409200    
 H    1.217600     -0.3275000      -2.045600    
 H    3.947300      -1.493200      -1.550400    
 H    4.344700      -1.583200      0.9530000    
 H    3.063600      -3.478600       2.130300    
 H   0.6841000      -3.798800       1.260100    
 H   0.5122000      -1.963000     -0.3636000    
 H   0.4219000      -3.493700      -1.240000    
 H    4.067300       2.032300      -1.715700    
 H    3.699200       4.636200      0.1404000    
 H  -0.7511000       4.529700       1.631700    
 H    4.934900      -3.784300      0.8061000    
 H    2.677200      -1.258100       2.522900    
 H    1.335600      -5.358900     -0.2439000    
 H   -1.806500     -9.5600002E-02   2.189800    
 H   -2.893300       2.625100     -0.9661000    
 H   -4.590100       1.085000      -1.743300    
 H   -4.238500      -2.473200       1.124500    
 H   -5.447500     -0.8516000      -2.781600    
 H   -6.651100     -5.9400000E-02  -1.693800    
 H   -6.785300      -1.778200      -2.088700    


%chk=000127687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127687

0 1
O 0.337539 0.893595 -0.433255
O 3.206965 -0.273844 -1.317250
O 2.020576 -2.380944 -1.163409
O 3.700813 2.527361 -0.782040
O 2.734438 3.701189 1.624760
O -1.378424 1.353827 1.116154
O -0.207911 3.978835 1.655508
O 4.908568 -3.505103 -0.856159
O 3.792908 -0.878850 1.624052
O 2.912084 -4.333731 0.840946
O -5.764851 -0.347029 1.856479
O -7.211427 -1.013039 -0.099747
C 1.481541 1.461669 -1.199661
C 2.465225 2.035952 -0.158651
C 1.831450 3.224519 0.580281
C 0.525658 2.780312 1.252559
C -0.368742 1.969411 0.280786
C 2.095182 0.353712 -2.063755
C 3.295900 -1.736449 -1.427406
C 4.428590 -2.179995 -0.468382
C 3.992104 -2.205008 1.027051
C 2.632369 -2.917416 1.183136
C 1.585823 -2.293382 0.252630
C -2.554085 0.850756 0.526887
C -3.567330 0.499797 1.434737
C -2.723221 0.691562 -0.880733
C -4.791660 -0.011588 0.950145
C -3.942673 0.193930 -1.353990
C -5.004343 -0.167304 -0.474378
C -6.287776 -0.693519 -0.950071
C -6.566315 -0.874433 -2.430418
H 1.105266 2.271697 -1.865209
H 2.692362 1.228681 0.564230
H 1.612760 4.036034 -0.148987
H 0.772472 2.134552 2.119406
H -0.841338 2.657038 -0.457353
H 2.503562 0.783433 -2.997486
H 1.323484 -0.400635 -2.300714
H 3.535686 -2.045973 -2.461819
H 5.285112 -1.496095 -0.607686
H 4.762530 -2.778814 1.580685
H 2.295681 -2.834639 2.234503
H 1.407177 -1.240331 0.536411
H 0.628408 -2.841551 0.280235
H 4.223354 1.721988 -1.037682
H 3.607045 3.870624 1.181535
H -0.899126 3.716915 2.314515
H 4.263123 -4.165253 -0.463926
H 4.644574 -0.376448 1.597094
H 2.063305 -4.815413 0.678568
H -3.420629 0.623428 2.510011
H -1.903441 0.908305 -1.568133
H -4.077640 0.066453 -2.433097
H -6.576832 -0.694133 1.306444
H -5.842072 -1.570944 -2.891394
H -6.492485 0.087394 -2.970273
H -7.582012 -1.278709 -2.553886


