%chk=000169652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169652

0 1
 O  -0.3593000      -1.992200      0.4301000    
 O   -5.293800     -1.7600000E-02   1.318000    
 O  -0.1458000       2.695300     -0.8918000    
 C   -2.535900     -0.9295000      4.9300000E-02
 C   -1.879700      0.3164000     -0.5938000    
 C   -1.655600      -2.183000     -0.1755000    
 C   -3.989700      -1.039800     -0.4406000    
 C   -4.807400      0.1884000     -9.8999999E-03
 C  -0.4310000      0.3922000     -0.1486000    
 C   -2.729400       1.543000     -0.3338000    
 C   -4.047200       1.492400     -6.3800000E-02
 C   0.2230000     -0.7574000      0.3223000    
 C   -2.255200      -3.495700      0.3536000    
 C   -1.358000      -2.383500      -1.672200    
 C   0.3243000       1.570500     -0.2785000    
 C    1.562800     -0.7041000      0.7263000    
 C   -4.851700       2.739100      0.1776000    
 C    2.280500      0.4839000      0.6279000    
 C    1.663700       1.619100      0.1159000    
 C    3.709800      0.5325000       1.048900    
 C    4.713900      0.1835000     -6.5300003E-02
 C    6.165700      0.1802000      0.4234000    
 C    7.128300     -0.1955000     -0.7038000    
 C    8.567600     -0.2383000     -0.2158000    
 H   -2.567900     -0.7734000       1.140500    
 H   -1.858300      0.2127000      -1.687200    
 H   -4.460400      -1.946300     -4.6200000E-02
 H   -4.003900      -1.111400      -1.535100    
 H   -5.686500      0.2614000     -0.6618000    
 H   -2.295400       2.532600     -0.3872000    
 H   -3.152500      -3.795400     -0.1958000    
 H   -1.525400      -4.311400      0.2924000    
 H   -2.512800      -3.392300       1.413600    
 H  -0.7556000      -1.590800      -2.124700    
 H  -0.7643000      -3.295800      -1.816800    
 H   -2.275400      -2.498700      -2.258000    
 H    2.046500      -1.602800       1.103700    
 H   -4.245900       3.647200      9.1200002E-02
 H   -5.286200       2.725900       1.182100    
 H   -5.664400       2.812800     -0.5523000    
 H    2.237800       2.536300      3.8000001E-03
 H   -5.861600     -0.8069000       1.304100    
 H    3.941300       1.531000       1.443200    
 H    3.858700     -0.1503000       1.896200    
 H    4.606100      0.9003000     -0.8893000    
 H    4.468600     -0.8041000     -0.4767000    
 H   0.5367000       3.387700     -0.8899000    
 H    6.423200       1.171400      0.8157000    
 H    6.270400     -0.5328000       1.250000    
 H    7.045400      0.5301000      -1.521300    
 H    6.859500      -1.176700      -1.112100    
 H    8.690400     -0.9802000      0.5797000    
 H    9.238600     -0.5072000      -1.037600    
 H    8.879200      0.7368000      0.1722000    


%chk=000169652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169652

0 1
O -0.493336 -2.015355 0.521524
O -5.264853 -0.019212 1.379464
O -0.136613 2.564975 -1.177277
C -2.613591 -0.933332 -0.062291
C -1.910260 0.303975 -0.679089
C -1.781306 -2.223973 -0.244277
C -4.058179 -0.976436 -0.593155
C -4.851608 0.226372 -0.033408
C -0.438346 0.345140 -0.261724
C -2.723766 1.547010 -0.317612
C -4.052280 1.520423 -0.021990
C 0.172136 -0.791434 0.340136
C -2.407885 -3.435991 0.460517
C -1.417290 -2.550587 -1.707565
C 0.410092 1.464410 -0.472552
C 1.509517 -0.770113 0.805809
C -4.829917 2.766317 0.351855
C 2.307230 0.379513 0.641159
C 1.747052 1.500053 -0.023126
C 3.754732 0.404223 1.109389
C 4.772775 0.149110 -0.036860
C 6.238891 0.184271 0.447522
C 7.261876 -0.057137 -0.685918
C 8.725228 -0.021015 -0.194441
H -2.674861 -0.768817 1.033935
H -1.942749 0.209186 -1.790256
H -4.572811 -1.912029 -0.302051
H -4.060711 -0.927643 -1.701474
H -5.769975 0.372334 -0.646402
H -2.192242 2.503021 -0.334908
H -3.275321 -3.818545 -0.105292
H -1.660651 -4.244622 0.535927
H -2.735043 -3.170121 1.480926
H -0.804445 -1.753386 -2.161721
H -0.839561 -3.490198 -1.750233
H -2.330250 -2.677017 -2.317906
H 1.907525 -1.671753 1.281879
H -4.180710 3.658437 0.374398
H -5.291706 2.639647 1.348358
H -5.654394 2.958572 -0.364289
H 2.357645 2.398989 -0.187332
H -5.944527 -0.741481 1.381731
H 3.985186 1.384884 1.572851
H 3.904579 -0.361635 1.894673
H 4.624933 0.907808 -0.832070
H 4.554573 -0.833597 -0.500821
H 0.552618 3.264908 -1.293185
H 6.445935 1.165817 0.924221
H 6.383203 -0.580773 1.239097
H 7.117017 0.707426 -1.476413
H 7.054194 -1.037499 -1.161102
H 8.903622 -0.794729 0.576045
H 9.435428 -0.199262 -1.022819
H 8.969001 0.960472 0.254442


