%chk=000125516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125516

0 1
 O    3.079500       1.594500     -0.3239000    
 O   -3.060100      -1.573700     -0.3389000    
 O    6.732200       1.945600      0.8299000    
 O   -6.706700      -1.978800      0.8161000    
 O    5.565900      0.3680000       1.990500    
 O   -5.558100     -0.3971000       1.988800    
 N    4.331100     -0.3523000     -0.3331000    
 N   -4.335100      0.3578000     -0.3298000    
 C    5.636200      0.2890000     -0.4248000    
 C   -5.632400     -0.2984000     -0.4257000    
 C    6.591600     -0.8317000     -0.8179000    
 C   -6.601800      0.8140000     -0.8081000    
 C    5.943400      -2.077300     -0.2184000    
 C   -5.967900       2.062200     -0.1986000    
 C    4.454800      -1.807200     -0.3765000    
 C   -4.476400       1.811400     -0.3608000    
 C    3.145200      0.3646000     -0.3624000    
 C   -3.140600     -0.3445000     -0.3668000    
 C    1.887000     -0.4634000     -0.4348000    
 C   -1.892600      0.4994000     -0.4334000    
 C   0.6476000      0.4262000     -0.4619000    
 C  -0.6552000     -0.3835000     -0.4689000    
 C    5.953500      0.8408000      0.9324000    
 C   -5.941300     -0.8657000      0.9271000    
 H    5.595900       1.100900      -1.158700    
 H   -5.583300      -1.103500      -1.166700    
 H    6.619900     -0.9289000      -1.910100    
 H    7.614800     -0.6843000     -0.4592000    
 H   -6.632600      0.9201000      -1.899300    
 H   -7.622500      0.6512000     -0.4495000    
 H    6.201300      -2.157800      0.8442000    
 H    6.257600      -3.000500     -0.7131000    
 H   -6.225400       2.130500      0.8649000    
 H   -6.293800       2.985800     -0.6852000    
 H    4.091800      -2.148900      -1.351800    
 H    3.857200      -2.273300      0.4115000    
 H   -4.118700       2.165700      -1.333600    
 H   -3.883300       2.278000      0.4303000    
 H    1.846100      -1.119800      0.4412000    
 H    1.916300      -1.083800      -1.337000    
 H   -1.928500       1.126800      -1.330400    
 H   -1.856900       1.148000      0.4485000    
 H   0.6490000       1.087700      0.4141000    
 H   0.6744000       1.075200      -1.346500    
 H  -0.6547000      -1.056500      0.3983000    
 H  -0.6769000      -1.021600      -1.361600    
 H    6.950400       2.322700       1.708700    
 H   -6.919300      -2.366100       1.691900    


%chk=000125516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125516

0 1
O 3.234757 1.599197 -0.263368
O -3.240159 -1.596461 -0.279878
O 6.860468 1.969633 0.809293
O -6.864201 -1.978502 0.791407
O 5.606734 0.431748 2.020445
O -5.611377 -0.452019 2.017862
N 4.377503 -0.394887 -0.467908
N -4.382812 0.399816 -0.462426
C 5.673190 0.309218 -0.468934
C -5.678635 -0.304049 -0.470062
C 6.683139 -0.811042 -0.857407
C -6.688579 0.820469 -0.846114
C 6.038768 -2.090930 -0.265569
C -6.043682 2.093801 -0.240873
C 4.522272 -1.873803 -0.491649
C -4.527391 1.878926 -0.470362
C 3.201335 0.329279 -0.351007
C -3.206635 -0.325711 -0.354416
C 1.901105 -0.479184 -0.341048
C -1.906313 0.482474 -0.337258
C 0.648121 0.415985 -0.360541
C -0.653400 -0.412623 -0.363258
C 5.990005 0.879587 0.920082
C -5.994811 -0.888791 0.913098
H 5.668272 1.151271 -1.179272
H -5.674295 -1.138544 -1.189252
H 6.737670 -0.872982 -1.959268
H 7.697604 -0.614148 -0.474385
H -6.743539 0.894165 -1.947229
H -7.702918 0.619702 -0.464771
H 6.248578 -2.153886 0.816333
H 6.403527 -3.013543 -0.746542
H -6.252701 2.144831 0.841814
H -6.408709 3.021650 -0.711450
H 4.195944 -2.283156 -1.469257
H 3.913388 -2.345725 0.299456
H -4.201704 2.298587 -1.443805
H -3.917906 2.342436 0.325246
H 1.887117 -1.120655 0.565140
H 1.889947 -1.175813 -1.204727
H -1.894731 1.185754 -1.195551
H -1.892580 1.116943 0.573826
H 0.676507 1.089896 0.516515
H 0.686952 1.075665 -1.248926
H -0.681534 -1.092528 0.509178
H -0.692539 -1.066195 -1.256111
H 7.064600 2.321838 1.717709
H -7.067749 -2.340193 1.696221


