%chk=000122918.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122918

0 1
 O   -4.460500       1.018000       1.011600    
 O   -3.068900       2.437300      -1.044300    
 O   -4.749800      -1.380600     -0.3793000    
 O   -1.568800       1.554900       2.159000    
 O   -1.794900      -1.578500     -0.7439000    
 O   0.4283000       2.404200      0.4552000    
 C   -3.353200      0.4607000      0.3044000    
 C   -2.401300       1.597900     -0.1029000    
 C   -3.865700     -0.3730000     -0.8871000    
 C   -1.903300       2.444300       1.086100    
 C   -2.767600      -1.093800      -1.666200    
 C  -0.6540000       3.271300      0.7861000    
 C  -0.7583000      -2.285100      -1.408500    
 C    1.604200       3.138200      0.1490000    
 C   0.2332000      -2.770500     -0.3924000    
 C    2.706300       2.178200     -0.1904000    
 C    1.318200      -1.968400     -3.8199998E-02
 C    3.544100       1.694500      0.8145000    
 C   6.9899999E-02  -4.023500      0.1986000    
 C    2.892800       1.768900      -1.510900    
 C    2.240000      -2.419400      0.9066000    
 C    4.568500      0.8019000      0.4992000    
 C   0.9917000      -4.474300       1.143600    
 C    3.917300      0.8762000      -1.826200    
 C    2.076600      -3.672200       1.497500    
 C    4.755000      0.3927000     -0.8211000    
 H   -2.865100     -0.2091000       1.021000    
 H   -1.540500       1.152300     -0.6136000    
 H   -4.472000      0.2423000      -1.561200    
 H   -2.702300       3.112700       1.428000    
 H   -2.281600     -0.3912000      -2.352900    
 H   -3.178400      -1.930200      -2.243500    
 H  -0.3752000       3.847700       1.676600    
 H  -0.8434000       3.966900     -3.8699999E-02
 H   -4.920300       1.625000      0.4066000    
 H   -2.424300       3.086500      -1.372000    
 H   -5.139400      -1.842100      -1.141500    
 H   -1.310300       2.100200       2.921500    
 H  -0.2620000      -1.629600      -2.135100    
 H   -1.175900      -3.135500      -1.962000    
 H    1.895800       3.757900       1.006200    
 H    1.418600       3.811600     -0.6971000    
 H    1.451800     -0.9892000     -0.4886000    
 H    3.406800       2.003500       1.847300    
 H  -0.7725000      -4.656500     -6.7299999E-02
 H    2.244600       2.136100      -2.302100    
 H    3.083700      -1.796600       1.186300    
 H    5.219700      0.4239000       1.281900    
 H   0.8642000      -5.449400       1.604400    
 H    4.061600      0.5561000      -2.853900    
 H    2.793800      -4.022800       2.233900    
 H    5.551600     -0.3036000      -1.066400    


%chk=000122918-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122918

0 1
O -3.629554 1.212979 -0.705084
O -1.461905 2.475289 -0.683118
O -3.962895 -1.269918 -1.687293
O 0.266874 -0.481283 0.844775
O -1.539366 -2.330693 -0.010145
O 1.143377 2.485250 -0.179697
C -2.507930 0.289445 -0.485948
C -1.145309 1.056679 -0.461162
C -2.590328 -0.767157 -1.615036
C -0.373050 0.835673 0.870248
C -1.662079 -1.974930 -1.443530
C 0.725999 1.885412 1.110420
C -1.097791 -3.739292 0.189693
C 2.335290 3.346526 -0.041735
C -0.999862 -4.016532 1.672381
C 2.768243 3.805252 -1.417961
C 0.080289 -3.497177 2.432382
C 2.925996 2.862435 -2.465975
C -1.990630 -4.793575 2.321806
C 3.046849 5.170667 -1.668587
C 0.165417 -3.754702 3.817948
C 3.357693 3.281844 -3.742693
C -1.904112 -5.056474 3.707656
C 3.488264 5.590713 -2.944790
C -0.824229 -4.537690 4.458370
C 3.644137 4.646839 -3.984958
H -2.691229 -0.215656 0.479622
H -0.481692 0.699132 -1.275890
H -2.325125 -0.263337 -2.574200
H -1.092001 0.897260 1.716718
H -0.650192 -1.761484 -1.845542
H -2.106313 -2.822053 -2.000187
H 1.589170 1.380794 1.586119
H 0.357834 2.695899 1.772082
H -3.213157 2.113192 -0.851220
H -0.574791 2.931535 -0.777880
H -4.543816 -0.473678 -1.537240
H -0.429827 -1.195297 0.660320
H -0.116692 -3.874783 -0.314368
H -1.841943 -4.402387 -0.293285
H 3.133356 2.748187 0.449816
H 2.104165 4.214376 0.612112
H 0.845516 -2.881555 1.944951
H 2.695179 1.808729 -2.274800
H -2.834131 -5.187526 1.742002
H 2.916859 5.908910 -0.867419
H 1.001131 -3.346856 4.397307
H 3.473046 2.547905 -4.548201
H -2.675060 -5.660240 4.199039
H 3.702068 6.649676 -3.127383
H -0.754596 -4.740473 5.533097
H 3.981655 4.970951 -4.975739


