%chk=000101989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101989

0 1
 O   -4.468400      0.2882000       1.612200    
 C   7.6000001E-03 -0.4760000      0.2616000    
 C   -1.447900     -0.4348000     -0.3349000    
 C   0.8955000      0.6889000     -0.2947000    
 C    2.269100      0.5865000      0.3695000    
 C   -2.041500      0.9749000     -1.2800000E-02
 C    2.980600     -0.7415000      2.7500000E-02
 C   0.7091000      -1.860800      0.1661000    
 C   0.2407000       2.053800     -4.7899999E-02
 C   -1.188900       2.115300     -0.5834000    
 C    2.165800      -1.864000      0.6775000    
 C   -2.352300      -1.496100      0.3524000    
 C   -3.515600       1.113400     -0.4307000    
 C    3.332600       1.659900      0.1519000    
 C   -1.425600     -0.7227000      -1.858100    
 C   -3.835300      -1.372700     -2.0300001E-02
 C   -4.387600      3.2600001E-02  0.2100000    
 C    4.336200     -0.4258000      0.6070000    
 C    3.182200      -1.020300      -1.479000    
 C    4.543800      0.9014000      0.6261000    
 H  -9.9699996E-02 -0.2896000       1.342600    
 H    1.018100      0.5807000      -1.377000    
 H    2.072500      0.6024000       1.458400    
 H   -2.018800       1.096100       1.081400    
 H   0.6962000      -2.222900     -0.8661000    
 H   0.1511000      -2.598200      0.7543000    
 H   0.8319000       2.845800     -0.5223000    
 H   0.2294000       2.271300       1.027900    
 H   -1.626100       3.081700     -0.3041000    
 H   -1.180500       2.085000      -1.678800    
 H    2.160100      -1.749100       1.769400    
 H    2.622200      -2.840800      0.4752000    
 H   -2.256200      -1.407700       1.442500    
 H   -2.021300      -2.509000      9.3900003E-02
 H   -3.880100       2.099400     -0.1154000    
 H   -3.612100       1.074100      -1.521200    
 H    3.144500       2.540300      0.7733000    
 H    3.437100       1.965000     -0.8934000    
 H  -0.7571000     -5.4099999E-02  -2.405700    
 H   -1.100000      -1.747800      -2.063400    
 H   -2.412300     -0.6158000      -2.317200    
 H   -3.978200      -1.654600      -1.069400    
 H   -4.400600      -2.096300      0.5797000    
 H   -5.405600      0.1031000     -0.1890000    
 H    5.074600      -1.166000      0.8792000    
 H    3.722700     -0.2110000      -1.983400    
 H    3.766600      -1.937400      -1.623600    
 H    2.240700      -1.152400      -2.018600    
 H    5.466200       1.371600      0.9340000    
 H   -5.048500     -0.3885000       2.000800    


%chk=000101989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101989

0 1
O -4.472393 0.343674 1.654016
C 0.004373 -0.459081 0.242907
C -1.454995 -0.432144 -0.356468
C 0.897099 0.708179 -0.312601
C 2.274479 0.593753 0.364381
C -2.067024 0.981349 -0.030791
C 2.999556 -0.758142 0.047555
C 0.697856 -1.852776 0.142783
C 0.229586 2.079960 -0.053733
C -1.214568 2.137759 -0.598712
C 2.158019 -1.889832 0.683055
C -2.345353 -1.490855 0.369063
C -3.553293 1.098131 -0.441588
C 3.381661 1.670461 0.189416
C -1.438925 -0.726416 -1.882833
C -3.839709 -1.401087 -0.017353
C -4.424648 0.010167 0.207054
C 4.386234 -0.455774 0.627532
C 3.197699 -1.022332 -1.478626
C 4.614089 0.887626 0.654088
H -0.115561 -0.243926 1.331650
H 1.021216 0.590233 -1.409253
H 2.083535 0.564759 1.462087
H -2.045500 1.071404 1.077232
H 0.698143 -2.197571 -0.908982
H 0.102624 -2.594748 0.707939
H 0.843092 2.884990 -0.504444
H 0.210024 2.267543 1.041383
H -1.682369 3.105465 -0.326743
H -1.202246 2.097569 -1.707659
H 2.151830 -1.760615 1.784570
H 2.599591 -2.885900 0.475307
H -2.248854 -1.339315 1.463664
H -1.983490 -2.512860 0.146647
H -3.944386 2.086529 -0.132967
H -3.664933 1.037557 -1.542148
H 3.196321 2.579633 0.790457
H 3.493355 2.000170 -0.866221
H -0.728716 -0.078898 -2.425411
H -1.150021 -1.775694 -2.077564
H -2.431072 -0.574289 -2.343723
H -3.975474 -1.671734 -1.083357
H -4.424782 -2.143846 0.564543
H -5.456732 0.056928 -0.205110
H 5.117343 -1.233458 0.877635
H 3.696867 -0.167127 -1.968414
H 3.841191 -1.910713 -1.622768
H 2.245814 -1.210305 -2.004664
H 5.555825 1.368090 0.941149
H -4.995476 -0.356993 2.120019


