%chk=000101781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101781

0 1
 O    3.370900     -0.6462000     -0.3411000    
 O    2.616800      0.7326000       1.383600    
 O    6.953200      -1.286600       1.562600    
 O    6.693500      -1.888100      -1.252900    
 O    5.284000       1.032700       2.280200    
 O    2.829600      -1.436000      -2.917800    
 O   -1.997900      0.2261000      0.3695000    
 O   0.2251000     -0.6347000       1.638800    
 O   -1.924000       3.495600      -2.107300    
 O   -5.866900      -2.866000      -1.210800    
 O   -7.693700      -2.357900      0.8217000    
 C    6.052900     -0.6074000      0.6859000    
 C    5.599600      -1.598200     -0.3866000    
 C    4.864000     -7.7799998E-02   1.487800    
 C    4.444200      -1.019700      -1.206900    
 C    3.736500      0.3898000      0.5676000    
 C    3.897400      -2.034500      -2.206000    
 C    1.499500       1.170700      0.7346000    
 C   -3.184300       1.004000      0.1459000    
 C   -3.170800       1.636500      -1.244300    
 C  -0.8455000      0.9486000      0.1973000    
 C  -0.7615000       2.083500     -0.6147000    
 C   0.2916000      0.4836000      0.8595000    
 C   -1.953500       2.514900      -1.373400    
 C    1.575200       2.315900     -5.9099998E-02
 C   -4.388200      0.1030000      0.3240000    
 C   0.4465000       2.773900     -0.7397000    
 C   -4.580400     -0.9804000     -0.5325000    
 C   -5.304100      0.3582000       1.344000    
 C   -5.689900      -1.809700     -0.3689000    
 C   -6.413600     -0.4711000       1.507800    
 C   -6.606400      -1.555100      0.6513000    
 H    6.618800      0.2210000      0.2421000    
 H    5.300400      -2.539600      9.0300001E-02
 H    4.502800     -0.8450000       2.183100    
 H    4.764700     -0.1309000      -1.767700    
 H    4.064500       1.276300      8.9999996E-03
 H    3.505100      -2.923100      -1.700500    
 H    4.659800      -2.345700      -2.925800    
 H    7.688700      -1.622000       1.021700    
 H    6.961200      -1.059700      -1.686100    
 H    5.610500       1.725100       1.680500    
 H   -3.213900       1.793700      0.9113000    
 H   -4.067300       2.248900      -1.393300    
 H   -3.111200      0.8935000      -2.047500    
 H    2.502700       2.873800     -0.1526000    
 H    2.162300      -1.156800      -2.267700    
 H   0.5293000       3.660100      -1.362600    
 H   -3.863300      -1.191200      -1.321800    
 H   -5.167600       1.198600       2.019100    
 H  -0.6862000     -0.9742000       1.609700    
 H   -7.124000     -0.2674000       2.304400    
 H   -5.136700      -2.886100      -1.852900    
 H   -7.668300      -3.055200      0.1435000    


%chk=000101781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101781

0 1
O 3.866472 -1.523551 -0.424480
O 2.437435 -0.216438 0.804757
O 7.209509 0.497673 1.081641
O 7.604313 -1.461387 -1.080809
O 4.618202 1.752069 1.151972
O 3.874688 -3.454774 -2.453237
O -2.294010 0.182994 0.328896
O -0.107412 -1.310060 0.861670
O -2.071683 4.236598 -0.786689
O -6.465978 -2.289872 -1.706549
O -8.273829 -2.052711 0.273224
C 6.154944 0.120867 0.138666
C 6.320135 -1.323503 -0.362987
C 4.825795 0.329264 0.883529
C 5.102344 -1.709436 -1.227103
C 3.642953 -0.139709 0.017047
C 5.060746 -3.183754 -1.645604
C 1.353470 0.609613 0.458384
C -3.478426 1.092805 0.544146
C -3.433405 2.222878 -0.506070
C -1.057500 0.852092 0.244772
C -0.917390 2.220900 -0.104898
C 0.063012 0.030985 0.524410
C -2.115184 3.010845 -0.472109
C 1.513767 1.987200 0.142627
C -4.721603 0.237340 0.486000
C 0.390460 2.777738 -0.141060
C -4.945729 -0.625278 -0.620036
C -5.691042 0.314699 1.513062
C -6.123745 -1.384388 -0.676850
C -6.884043 -0.440047 1.444605
C -7.106108 -1.293858 0.349433
H 6.174226 0.804295 -0.744710
H 6.417799 -2.014998 0.491785
H 4.837652 -0.264487 1.819701
H 5.050024 -1.061230 -2.134329
H 3.507518 0.530781 -0.860307
H 5.085626 -3.816323 -0.733250
H 5.928540 -3.429598 -2.277924
H 8.079103 0.207640 0.701136
H 7.549352 -0.971440 -1.943244
H 5.394620 2.075393 1.676890
H -3.360340 1.527440 1.558022
H -4.274641 2.920161 -0.351219
H -3.551882 1.788443 -1.519440
H 2.518919 2.418140 0.180763
H 3.088229 -3.163221 -1.921230
H 0.489630 3.838347 -0.390853
H -4.185286 -0.713424 -1.405981
H -5.519313 0.969353 2.374892
H -1.085648 -1.491001 0.906922
H -7.642176 -0.385786 2.230685
H -5.770089 -2.345571 -2.403861
H -8.250921 -2.596410 -0.558510


