%chk=000103029.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103029

0 1
 O    4.599800     -0.2941000       1.172600    
 C   -3.503700       1.299000      9.3000000E-03
 C   -3.260400     -7.0900001E-02  0.6756000    
 C   -2.449500      -1.085000     -0.1448000    
 C   -2.188300       2.082800     -0.2004000    
 C   -2.304100      -2.445400      0.5459000    
 C   -1.555600      -3.490200     -0.3036000    
 C   -1.414200       2.336700       1.099800    
 C   -4.221000       1.158300      -1.337500    
 C  -0.1452000       3.176800      0.8898000    
 C   -1.511800      -4.826400      0.4430000    
 C  -0.1333000      -3.051100     -0.6544000    
 C   0.9029000       2.591900     -3.6699999E-02
 C    1.143300       3.377000      -1.297600    
 C    1.465100       1.428300      0.1577000    
 C    2.018000      0.2676000      0.3661000    
 C    2.939000     -0.4233000     -0.5888000    
 C    4.304700     -0.6631000      3.6499999E-02
 C    5.314300      -1.368800     -0.8326000    
 H   -4.150500       1.882800      0.6772000    
 H   -2.801000      5.6699999E-02   1.661700    
 H   -4.244200     -0.5169000      0.8773000    
 H   -1.456200     -0.6657000     -0.3319000    
 H   -2.925100      -1.243200      -1.118600    
 H   -1.552700       1.554100     -0.9199000    
 H   -2.427300       3.052000     -0.6575000    
 H   -3.304300      -2.829700      0.7834000    
 H   -1.785200      -2.307000       1.503200    
 H   -2.108000      -3.643500      -1.239200    
 H   -1.122200       1.388800       1.563700    
 H   -2.064500       2.855200       1.814700    
 H   -3.584700      0.6944000      -2.097600    
 H   -4.517100       2.143200      -1.715400    
 H   -5.129800      0.5565000      -1.233900    
 H  -0.4412000       4.171800      0.5333000    
 H   0.3240000       3.342500       1.868600    
 H  -0.9614000      -4.737600       1.385900    
 H   -1.022600      -5.595600     -0.1640000    
 H   -2.523500      -5.177400      0.6720000    
 H   0.4366000      -2.797800      0.2458000    
 H   0.4020000      -3.850400      -1.178300    
 H  -0.1352000      -2.180200      -1.316600    
 H   0.2234000       3.446200      -1.887100    
 H    1.910800       2.910600      -1.924900    
 H    1.480900       4.390100      -1.056000    
 H    1.744300     -0.2719000       1.269000    
 H    2.512900      -1.393200     -0.8643000    
 H    3.078900      0.1699000      -1.499300    
 H    5.521500     -0.7632000      -1.718100    
 H    4.924500      -2.346600      -1.126200    
 H    6.244100      -1.513500     -0.2756000    


%chk=000103029-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103029

0 1
O 5.221568 -0.346560 0.435318
C -3.399153 1.258524 -0.122978
C -3.203621 -0.177536 0.445589
C -2.243533 -1.097833 -0.345909
C -2.086692 2.086217 -0.202756
C -2.156913 -2.512068 0.274922
C -1.319460 -3.539809 -0.533085
C -1.338852 2.231183 1.141671
C -4.109684 1.239377 -1.498805
C -0.194126 3.283727 1.124968
C -1.450596 -4.951522 0.087599
C 0.170029 -3.130949 -0.632497
C 0.910536 3.001495 0.093947
C 0.870060 3.798799 -1.207686
C 1.871214 2.104098 0.326417
C 2.848522 1.228962 0.552545
C 2.786400 -0.249969 0.197965
C 4.167996 -0.893755 0.016844
C 4.190562 -2.240651 -0.696387
H -4.070650 1.786137 0.590510
H -2.844929 -0.110542 1.493146
H -4.199354 -0.666400 0.496994
H -1.235682 -0.638706 -0.378952
H -2.585632 -1.187061 -1.397103
H -1.408950 1.637484 -0.956829
H -2.343856 3.098570 -0.580704
H -3.187431 -2.910559 0.387230
H -1.740740 -2.439105 1.303021
H -1.733716 -3.576487 -1.563915
H -0.911485 1.254811 1.443852
H -2.063881 2.519290 1.932060
H -3.472522 0.777348 -2.276303
H -4.350237 2.265754 -1.834212
H -5.055478 0.667080 -1.453495
H -0.627171 4.282020 0.912232
H 0.249744 3.332573 2.137341
H -1.053089 -4.962109 1.121206
H -0.888442 -5.703091 -0.497774
H -2.507821 -5.274028 0.130274
H 0.610843 -3.040372 0.380752
H 0.750759 -3.890039 -1.190117
H 0.295922 -2.161851 -1.148499
H -0.097262 3.655679 -1.726482
H 1.682801 3.506303 -1.892947
H 0.967462 4.882085 -0.997304
H 3.793208 1.549123 1.018681
H 2.288650 -0.824174 1.012757
H 2.169047 -0.432681 -0.701875
H 4.148754 -2.068237 -1.790312
H 3.312315 -2.856500 -0.431711
H 5.121768 -2.782548 -0.467905


