%chk=000163989.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163989

0 1
 O   -4.184200      -1.279500      0.7598000    
 O  -0.4699000      -2.345600     -9.6799999E-02
 O   0.3253000       1.324100      -2.986800    
 O   0.6475000       1.891900      0.5728000    
 O    1.069200      -3.915300     -0.7761000    
 O    2.740500       2.272100     -0.3211000    
 C   -2.802200      -1.010100       1.025200    
 C   -2.018400     -0.4830000     -0.1572000    
 C   -3.869500     -2.0300001E-02   1.354800    
 C   -3.716400       1.154100      0.4262000    
 C   -2.317700       1.014600     -0.1818000    
 C  -0.5546000     -0.9055000     -0.1644000    
 C   8.5600004E-02 -0.5468000      -1.496700    
 C   -2.268500      -1.916200       2.056400    
 C   -1.492100       2.053600     -0.4348000    
 C   0.5800000      0.8957000      -1.642100    
 C   6.9999998E-04   1.966400     -0.7033000    
 C    1.107500      -1.635800      -1.583900    
 C   0.6191000      -2.784200     -0.7913000    
 C   -1.981500       3.485700     -0.3645000    
 C    2.280100      -1.682500      -2.221200    
 C    2.003500       1.807300      0.5322000    
 C    2.426300       1.021600       1.715900    
 C    3.498700      0.2112000       1.771000    
 C    3.810500     -0.5297000       3.046200    
 C    4.480200     -4.3699998E-02  0.6614000    
 H   -2.495200     -0.9215000      -1.047600    
 H   -4.147000      0.1909000       2.374200    
 H   -3.833100       2.073500       1.006400    
 H   -4.477900       1.124800     -0.3603000    
 H  -1.4400000E-02 -0.5179000      0.7055000    
 H  -0.6235000     -0.7589000      -2.311700    
 H   -1.317000      -1.552300       2.456200    
 H   -2.952600      -2.006400       2.908600    
 H   -2.124000      -2.927000       1.663000    
 H    1.665600      0.8621000      -1.602000    
 H   0.2927000       2.936800      -1.131200    
 H   -1.670500       4.035100      -1.260300    
 H   -1.560800       3.986500      0.5134000    
 H   -3.069900       3.575000     -0.3237000    
 H   0.7820000       2.172200      -3.120600    
 H    2.635000     -0.8452000      -2.811700    
 H    2.916700      -2.560100      -2.179800    
 H    1.774200       1.105000       2.582600    
 H    3.788800      -1.610500       2.871300    
 H    3.094100     -0.3087000       3.844500    
 H    4.806500     -0.2554000       3.409500    
 H    4.157200      0.3437000     -0.3064000    
 H    4.625900      -1.121700      0.5305000    
 H    5.448200      0.4064000      0.9036000    


%chk=000163989-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163989

0 1
O -5.058006 -0.268286 -0.096168
O -1.982878 -2.831928 -1.265209
O 1.642082 0.089526 -2.220191
O 1.296763 1.078395 0.890752
O -1.268515 -4.448691 -2.779688
O 3.139471 1.529614 -0.472986
C -3.833895 -1.080266 0.341228
C -2.605632 -0.577540 -0.472698
C -4.317025 0.064090 1.181769
C -3.377359 1.251695 1.049536
C -2.180173 0.727089 0.234598
C -1.450565 -1.547745 -0.706823
C -0.436577 -1.025084 -1.767423
C -4.110152 -2.528885 0.663526
C -0.981545 1.385990 0.266035
C 0.736107 -0.273510 -1.128556
C 0.374591 1.027758 -0.334691
C -0.058184 -2.290025 -2.531977
C -1.103245 -3.328923 -2.265835
C -0.900613 2.725481 1.008389
C 0.984181 -2.539289 -3.363196
C 2.643230 1.396355 0.689344
C 3.322394 1.529524 1.986183
C 4.649444 1.821098 2.190824
C 5.180418 1.919714 3.607166
C 5.666284 2.061468 1.097437
H -3.010401 -0.314111 -1.473110
H -4.910321 -0.081124 2.091539
H -3.054908 1.604542 2.046197
H -3.890114 2.098648 0.551301
H -0.937729 -1.805486 0.241071
H -0.960644 -0.333333 -2.458308
H -3.262725 -2.983100 1.208681
H -5.015281 -2.600070 1.291446
H -4.259028 -3.119626 -0.253528
H 1.241756 -0.960694 -0.414013
H 0.691647 1.869340 -0.986504
H -0.082712 3.349706 0.607654
H -0.690072 2.580142 2.084908
H -1.836353 3.301392 0.916376
H 2.371688 0.651921 -1.816501
H 1.736969 -1.773617 -3.563282
H 1.067561 -3.527412 -3.832398
H 2.667399 1.371573 2.849789
H 6.005089 1.196808 3.761527
H 4.402917 1.729087 4.365064
H 5.609070 2.924453 3.790080
H 5.227476 1.995080 0.093013
H 6.489747 1.325216 1.184048
H 6.129068 3.059539 1.227511


