%chk=000158599.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158599

0 1
 O  -0.4318000     -0.7789000     -0.6296000    
 O   -1.833100      -1.907700      0.8788000    
 O    1.179100      0.7601000      6.8300001E-02
 O    4.781600      0.4521000      0.7564000    
 O    4.222300      -1.880900     -0.8944000    
 O    1.541700      -2.848700     -0.4716000    
 O    1.460700       3.017300       1.581500    
 C   -2.755500     -0.1157000     -0.5049000    
 C   -3.903700      8.1600003E-02  0.4834000    
 C   -2.723300       1.204000      -1.279700    
 C   -4.986500      0.6251000     -0.4360000    
 C   -4.221500       1.600300      -1.351500    
 C   -1.537900     -0.6402000      0.2483000    
 C    3.574600      0.2913000      4.1999999E-03
 C   0.8047000     -0.6159000      6.4199999E-02
 C   -1.882000       2.301500     -0.6332000    
 C   -4.126900      -1.194200       1.219000    
 C    3.254500      -1.216300     -8.1400000E-02
 C    1.856100      -1.466900     -0.6491000    
 C    2.415300      0.9912000      0.7509000    
 C   -3.113000      -2.061800       1.361800    
 C    3.838500      0.9013000      -1.380700    
 C    2.586100       2.501400      0.8953000    
 H   -3.037100     -0.8938000      -1.235400    
 H   -3.661800      0.8532000       1.227600    
 H   -2.337200       1.036100      -2.292400    
 H   -5.787500       1.128900      0.1142000    
 H   -5.442000     -0.1748000      -1.032600    
 H   -4.597900       1.522700      -2.377500    
 H   -4.380500       2.633900      -1.023900    
 H   -1.291200      7.1099997E-02   1.050000    
 H   0.6981000     -0.9709000       1.099500    
 H   -5.094900      -1.401100       1.661400    
 H  -0.8206000       2.054700     -0.6799000    
 H   -2.014600       3.248600      -1.167600    
 H   -2.152400       2.468200      0.4139000    
 H    3.337500      -1.674500      0.9129000    
 H    1.840800      -1.281400      -1.729100    
 H    2.322400      0.5829000       1.767500    
 H   -3.209500      -3.004700       1.881700    
 H    4.186400       1.936700      -1.297800    
 H    4.644500      0.3725000      -1.901800    
 H    2.949000      0.8845000      -2.017300    
 H    2.621600       3.006000     -7.4299999E-02
 H    3.487500       2.753800       1.460700    
 H    4.630900      9.3300000E-02   1.647500    
 H    5.096700      -1.702800     -0.5078000    
 H    1.529000      -3.035500      0.4826000    
 H   0.6680000       2.775600       1.073300    


%chk=000158599-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158599

0 1
O -0.458089 -0.680206 -0.411863
O -1.766519 -1.355181 1.445850
O 1.237609 0.716980 0.391119
O 4.995773 0.301905 0.614826
O 4.124996 -1.923190 -1.117644
O 1.487515 -2.860972 -0.659375
O 1.794065 2.796997 2.298690
C -2.788962 -0.066954 -0.424903
C -4.040915 0.171485 0.457410
C -2.819502 1.089244 -1.468786
C -5.114636 0.435833 -0.624393
C -4.367396 1.353291 -1.649582
C -1.556273 -0.262477 0.438777
C 3.635098 0.263042 0.007859
C 0.821155 -0.708404 0.227477
C -2.053172 2.358983 -1.032176
C -4.198514 -0.977976 1.426105
C 3.248680 -1.228470 -0.173260
C 1.813692 -1.437608 -0.690405
C 2.588213 0.874146 0.980406
C -3.089561 -1.653489 1.832692
C 3.759759 1.026295 -1.314955
C 2.737513 2.371966 1.261493
H -2.945506 -1.026353 -0.959144
H -3.903544 1.119652 1.026097
H -2.374813 0.734133 -2.415984
H -6.027933 0.908634 -0.221427
H -5.410769 -0.522234 -1.093128
H -4.697813 1.154282 -2.684732
H -4.587358 2.417346 -1.440312
H -1.265173 0.633332 1.019963
H 0.770118 -1.190155 1.227075
H -5.178284 -1.275005 1.812211
H -0.972634 2.156925 -0.915996
H -2.169080 3.154305 -1.791457
H -2.439536 2.761021 -0.075016
H 3.320406 -1.718892 0.828406
H 1.724169 -1.028912 -1.717361
H 2.624818 0.325153 1.952956
H -3.090560 -2.504591 2.519116
H 4.358101 1.939762 -1.164627
H 4.260985 0.399113 -2.070733
H 2.762881 1.307091 -1.694820
H 2.583517 2.946199 0.326428
H 3.741666 2.588399 1.659301
H 4.952724 -0.081674 1.531038
H 5.062826 -1.736698 -0.851603
H 2.209721 -3.331590 -1.152061
H 0.885740 2.548719 1.985850


