%chk=000163988.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163988

0 1
 O   -3.656900      0.3753000      0.1690000    
 O   -1.446900     -0.8943000       1.853900    
 O   0.2259000       2.986700      0.1066000    
 O    2.136600       1.162300     -2.6400000E-02
 O   0.2040000      -3.623400      -1.266600    
 O   -5.107500       2.154000     -4.8200000E-02
 O    3.001500     -0.6267000       1.146600    
 C   -2.281000      0.1551000     -0.2084000    
 C   -1.614800       1.477500      0.1657000    
 C   -1.694600      -1.103300      0.4675000    
 C  -0.1956000       1.698700     -0.3662000    
 C  -0.3994000      -1.494200     -0.2272000    
 C   0.8072000      0.6602000      0.1739000    
 C   0.6901000     -0.7289000     -0.4475000    
 C   -2.551700      -2.345500      0.3218000    
 C   -2.708500       2.391700     -0.2974000    
 C  -0.5957000      -2.900800     -0.7019000    
 C   -3.986700       1.680800     -6.3699998E-02
 C   -1.947500      -3.340200     -0.3363000    
 C    1.869200      -1.160600      -1.288800    
 C   -3.912100      -2.475100      0.9240000    
 C   -2.687300       3.595600     -0.8731000    
 C    3.130000      0.4105000      0.5181000    
 C    4.409300       1.098700      0.2232000    
 C    5.605600      0.4975000      9.1600001E-02
 C    6.828700       1.325300     -0.2101000    
 C    5.878000     -0.9768000      0.2000000    
 H   -2.282800      6.6000000E-03  -1.300400    
 H   -1.591800       1.592100       1.260300    
 H  -0.1758000       1.732400      -1.462200    
 H   0.6768000      0.5899000       1.263000    
 H   -2.338300      -4.322700     -0.5439000    
 H   -1.002100      -1.681100       2.213600    
 H    1.502900      -1.747300      -2.140900    
 H    2.564700      -1.816300     -0.7614000    
 H    2.390700     -0.3372000      -1.785900    
 H   -3.914100      -2.115100       1.957400    
 H   -4.243700      -3.519200      0.9423000    
 H   -4.651400      -1.909100      0.3510000    
 H    1.127900       3.135100     -0.2254000    
 H   -1.757300       4.113000      -1.076200    
 H   -3.601900       4.101300      -1.165300    
 H    4.335300       2.175600      8.7499999E-02
 H    7.580800       1.187500      0.5738000    
 H    6.605300       2.395800     -0.2698000    
 H    7.264700       1.023600      -1.168100    
 H    4.975700      -1.590400      0.2041000    
 H    6.440500      -1.189000       1.114800    
 H    6.475200      -1.312300     -0.6551000    


%chk=000163988-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163988

0 1
O -3.686240 0.400418 0.276899
O -1.280614 -1.004127 1.683148
O 0.448584 2.749427 -0.128640
O 2.165105 0.808578 -0.554848
O -0.526983 -3.671164 -2.203384
O -4.973512 2.339625 0.451880
O 3.059788 -0.529214 1.142623
C -2.309024 0.097936 -0.224342
C -1.481292 1.348795 0.177005
C -1.753233 -1.245089 0.302286
C -0.148709 1.488511 -0.573789
C -0.643119 -1.702080 -0.667486
C 0.809831 0.303447 -0.207669
C 0.513333 -1.013459 -0.935237
C -2.772504 -2.401600 0.265978
C -2.520060 2.450438 0.025269
C -1.100249 -2.993032 -1.296867
C -3.861586 1.820555 0.265801
C -2.384803 -3.347274 -0.645137
C 1.545814 -1.502019 -1.924781
C -3.969555 -2.434974 1.166667
C -2.381125 3.775524 -0.224035
C 3.250411 0.312998 0.231246
C 4.494495 0.946422 -0.230323
C 5.749429 0.746908 0.291777
C 6.933060 1.481397 -0.305085
C 6.068510 -0.170559 1.451135
H -2.395568 0.014088 -1.325174
H -1.242723 1.253644 1.254843
H -0.309434 1.510364 -1.674359
H 0.773944 0.140798 0.886381
H -2.916188 -4.271544 -0.882890
H -0.836291 -1.828528 2.008223
H 1.165409 -2.356356 -2.502047
H 2.462356 -1.822979 -1.392272
H 1.850809 -0.682309 -2.600414
H -3.679088 -2.194415 2.206249
H -4.464566 -3.419529 1.144042
H -4.691595 -1.652413 0.871220
H 1.411409 2.709070 -0.373275
H -1.393363 4.220744 -0.366797
H -3.273510 4.410765 -0.274818
H 4.367658 1.631588 -1.075682
H 7.424916 2.110139 0.462686
H 6.647851 2.126226 -1.152544
H 7.698409 0.761335 -0.654455
H 5.176514 -0.670980 1.851483
H 6.557548 0.404985 2.261620
H 6.800951 -0.937785 1.131188


