%chk=000168168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168168

0 1
 O  -0.3872000       3.159500      0.6833000    
 O   -3.767400       1.916900       1.048800    
 O    2.404100      -1.253500      -1.013800    
 O   -6.192800      -2.747500     -0.4061000    
 O   -4.537600      -2.900400       1.141800    
 C   -1.164600      0.9283000      0.1152000    
 C   -2.511500      0.5196000     -0.5000000    
 C  -0.9849000       2.384000     -0.3459000    
 C   -3.353200       1.785300     -0.3068000    
 C   -2.390100       2.919600     -0.6580000    
 C  -4.9000001E-03  3.8699999E-02 -0.3158000    
 C   -3.113600     -0.7263000      0.1353000    
 C    1.336100      0.5130000      0.2391000    
 C   -4.455400      -1.109800     -0.4760000    
 C    2.524800     -0.3147000     -0.2288000    
 C   -5.037900      -2.339700      0.1750000    
 C    3.877900      0.1201000      0.3129000    
 C    5.018200     -0.7747000     -0.1676000    
 C    6.367800     -0.2889000      0.3622000    
 C    7.512700      -1.164700     -0.1461000    
 C    8.859600     -0.6649000      0.3514000    
 H   -1.229000      0.8984000       1.212300    
 H   -2.378100      0.3468000      -1.577500    
 H  -0.3549000       2.459900      -1.239900    
 H   -4.243400       1.799200     -0.9432000    
 H   -2.455000       3.119300      -1.734400    
 H   -2.618400       3.845300     -0.1198000    
 H  -0.1801000     -0.9915000      1.6200000E-02
 H   4.8900001E-02 -3.0000001E-04  -1.411600    
 H   -2.421300      -1.568400      1.1500000E-02
 H   -3.223200     -0.5902000       1.218900    
 H    1.314000      0.4803000       1.334100    
 H    1.542300       1.541700     -7.3100001E-02
 H   -4.330900      -1.315000      -1.544900    
 H   -5.183000     -0.3016000     -0.3497000    
 H  -0.3140000       4.072300      0.3561000    
 H   -4.262100       2.750700       1.122800    
 H    3.826200      0.1003000       1.407100    
 H    4.051200       1.152600     -1.0200000E-02
 H    5.037900     -0.7889000      -1.264600    
 H    4.840900      -1.807100      0.1582000    
 H    6.357200     -0.2957000       1.458900    
 H    6.533100      0.7487000      4.7200002E-02
 H   -6.565200      -3.540300      3.5599999E-02
 H    7.366000      -2.198900      0.1864000    
 H    7.516900      -1.173800      -1.242300    
 H    9.051200      0.3562000      6.3999998E-03
 H    9.663600      -1.306400     -2.2700001E-02
 H    8.900600     -0.6717000       1.445300    


%chk=000168168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168168

0 1
O -0.349249 3.270537 0.231353
O -3.838452 1.984932 0.859239
O 2.555549 -0.625670 -1.593974
O -6.365938 -2.639419 0.235814
O -4.377555 -3.104145 1.337567
C -1.171268 0.984347 -0.088281
C -2.567693 0.470803 -0.549851
C -1.039059 2.387767 -0.735371
C -3.438482 1.752877 -0.544014
C -2.489366 2.850882 -1.084439
C -0.001887 0.034827 -0.421100
C -3.124013 -0.690301 0.299345
C 1.333225 0.482624 0.210579
C -4.548082 -1.100038 -0.119226
C 2.573206 -0.146069 -0.426866
C -5.027289 -2.360710 0.570604
C 3.846128 -0.139656 0.424273
C 5.136581 -0.465332 -0.350536
C 6.381838 -0.518187 0.561621
C 7.682756 -0.833265 -0.212011
C 8.928307 -0.884044 0.698801
H -1.224242 1.153733 1.006505
H -2.493979 0.136852 -1.609337
H -0.427848 2.325558 -1.662210
H -4.350088 1.654497 -1.170254
H -2.613313 2.940922 -2.180128
H -2.709076 3.840966 -0.640378
H -0.237365 -0.989691 -0.073238
H 0.130856 -0.034149 -1.518929
H -2.454426 -1.566706 0.220704
H -3.134914 -0.384450 1.360123
H 1.343868 0.293979 1.302697
H 1.437340 1.585608 0.116133
H -4.614715 -1.275748 -1.212328
H -5.268573 -0.292446 0.107373
H -0.181464 4.148934 -0.196471
H -4.147348 2.919545 0.958939
H 3.694071 -0.879940 1.240845
H 3.922132 0.841379 0.938324
H 5.285965 0.291668 -1.145735
H 5.007772 -1.430796 -0.875417
H 6.232304 -1.285875 1.350222
H 6.499699 0.451122 1.090979
H -6.646238 -3.475561 0.698663
H 7.566337 -1.802610 -0.737994
H 7.829861 -0.068298 -1.001554
H 9.083577 0.083653 1.212623
H 9.843766 -1.110760 0.121884
H 8.818279 -1.662346 1.477633


