%chk=000026877.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026877

0 1
 O    2.504500     -0.2712000      -2.678700    
 O    1.990900       1.523800       1.192900    
 O   0.6887000      -3.377600      0.7561000    
 O   -1.725800       1.242800     -0.4453000    
 O    2.120600       3.623300       2.128600    
 N    4.988000     -0.3817000      -1.117700    
 N    2.147500      -1.202600     -0.5081000    
 N   -3.254700     -0.6276000      0.7851000    
 N    2.769700       1.756600       3.303900    
 C    3.813600      0.4294000     -0.7945000    
 C    2.455800      2.4499999E-02  -1.283300    
 C    4.312000     -0.6214000      0.1447000    
 C    3.278100      -1.701400      0.2688000    
 C    1.221000      0.9445000     -0.9932000    
 C   0.8237000      -1.205600     -0.1347000    
 C   0.2304000     -4.7300000E-02 -0.4157000    
 C    1.475700       2.078800     -2.7999999E-03
 C   0.1232000      -2.318200      0.5092000    
 C   -1.187700      0.1835000     -0.1387000    
 C    3.071900      0.8017000      -3.413800    
 C   -1.324200      -2.090100      0.8365000    
 C   -1.943600     -0.9278000      0.5343000    
 C   -1.990000      -3.260500       1.510600    
 C    2.278900       2.409100       2.200100    
 C   -4.352800      -1.400900      0.2719000    
 C   -5.629500     -0.5654000      0.2284000    
 C   -5.480000      0.6983000     -0.6244000    
 C   -6.779600       1.503200     -0.6542000    
 C   -6.626100       2.779600      -1.465800    
 H    4.008100       1.476500     -0.6388000    
 H    4.822000     -0.3467000       1.054400    
 H    5.837300      0.1604000     -0.9627000    
 H    3.008000      -1.840900       1.321100    
 H    3.637400      -2.651700     -0.1387000    
 H   0.8036000       1.355800      -1.919800    
 H   0.5438000       2.614800      0.2141000    
 H    2.188200       2.796700     -0.4252000    
 H    2.702800       1.781600      -3.095600    
 H    4.164200      0.7793000      -3.374900    
 H    2.790100      0.6665000      -4.462700    
 H   -2.847300      -2.956800       2.117400    
 H   -1.305900      -3.760200       2.205400    
 H   -2.319900      -3.991500      0.7660000    
 H   -3.427900      0.3523000      0.9856000    
 H   -4.127900      -1.764000     -0.7387000    
 H   -4.539600      -2.275600      0.9020000    
 H   -6.445300      -1.182700     -0.1666000    
 H   -5.910400     -0.2791000       1.250000    
 H    2.883700      0.7486000       3.313400    
 H    3.034600       2.262000       4.142500    
 H   -4.686500       1.345900     -0.2384000    
 H   -5.197500      0.4183000      -1.646500    
 H   -7.583800      0.8957000      -1.085300    
 H   -7.080600       1.763100      0.3674000    
 H   -6.352100       2.555100      -2.501600    
 H   -7.567800       3.337300      -1.476700    
 H   -5.853400       3.426600      -1.038200    


%chk=000026877-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026877

0 1
O 2.362607 0.345135 -2.586325
O 2.069214 1.501630 1.834545
O 0.492545 -3.202934 0.401516
O -1.580905 1.915491 0.295160
O 4.239904 2.431764 1.994008
N 4.904717 -0.385276 -1.398388
N 2.004349 -0.947766 -0.652175
N -3.221516 -0.025038 0.877302
N 3.367711 0.975877 3.614344
C 3.917441 0.457262 -0.589207
C 2.471314 0.394562 -1.116155
C 4.299279 -0.938274 -0.118894
C 3.112384 -1.886957 -0.359062
C 1.380510 1.391002 -0.557471
C 0.722235 -0.879394 -0.188445
C 0.250514 0.433459 -0.194451
C 1.765787 2.306086 0.620570
C -0.074850 -2.047360 0.316842
C -1.072442 0.728174 0.217128
C 3.081020 1.421493 -3.275379
C -1.456318 -1.790634 0.697906
C -1.959157 -0.477656 0.615654
C -2.235869 -2.999703 1.191480
C 3.315260 1.706150 2.448962
C -4.465545 -0.737522 1.205346
C -5.692046 0.093254 0.767253
C -5.816969 0.263214 -0.763851
C -7.052104 1.096101 -1.176162
C -7.179030 1.257909 -2.706250
H 4.272829 1.347326 -0.063827
H 4.934115 -1.082846 0.760601
H 5.872756 -0.046155 -1.226345
H 2.851626 -2.506427 0.512306
H 3.303754 -2.546694 -1.222686
H 1.084209 2.064832 -1.383897
H 0.892678 2.926895 0.882205
H 2.635858 2.947659 0.392270
H 2.746234 2.427624 -2.943390
H 4.172527 1.321886 -3.133248
H 2.835485 1.295719 -4.341207
H -2.838377 -2.778333 2.088743
H -1.513256 -3.793758 1.443520
H -2.907588 -3.417821 0.417095
H -3.264550 1.009852 0.807104
H -4.476285 -1.714492 0.694657
H -4.521349 -0.931148 2.296965
H -6.599810 -0.406836 1.159348
H -5.653828 1.090790 1.253871
H 2.558276 0.440490 3.920336
H 4.206012 1.026637 4.185916
H -4.902015 0.743651 -1.164863
H -5.874937 -0.738377 -1.238841
H -7.968551 0.615909 -0.775527
H -6.991606 2.096779 -0.701461
H -7.267911 0.273449 -3.203331
H -8.068508 1.855406 -2.977825
H -6.289730 1.765035 -3.125189


