%chk=000060379.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060379

0 1
 O   -2.522400      -1.237100      -1.086700    
 O    4.080800      -2.184900     -0.3244000    
 O    1.922400       3.318300      7.3000002E-03
 N    2.279100      -1.631900       1.028100    
 N   -6.003300       2.624200      0.9157000    
 C  -0.4275000      -2.726300      0.3086000    
 C   0.8715000      -3.537300      0.3463000    
 C   -1.441300      -3.349600     -0.6561000    
 C    1.881600      -2.976700       1.342700    
 C   -2.756100      -2.579900     -0.6876000    
 C    3.363200      -1.342000      0.2075000    
 C    3.660600      9.8899998E-02  1.1000000E-03
 C   -3.379100     -0.2866000     -0.5943000    
 C    2.639200       1.043400      0.1020000    
 C    4.961500      0.5071000     -0.2930000    
 C   -4.700600     -0.6237000     -0.3012000    
 C   -2.929300       1.017200     -0.3862000    
 C    2.918800       2.396300     -9.1100000E-02
 C    5.241200       1.859900     -0.4862000    
 C   -5.572300      0.3431000      0.1998000    
 C   -3.801100       1.984000      0.1147000    
 C   -5.122500       1.646900      0.4077000    
 C    4.219800       2.804400     -0.3852000    
 C   0.6157000       2.832300      0.3106000    
 H  -0.8608000      -2.681200       1.315200    
 H  -0.2119000      -1.696300      2.0000001E-03
 H    1.315300      -3.557800     -0.6567000    
 H   0.6469000      -4.575100      0.6204000    
 H   -1.006700      -3.356100      -1.663300    
 H   -1.638000      -4.390500     -0.3745000    
 H    1.454800      -2.963800       2.351300    
 H    2.769600      -3.617900       1.364900    
 H   -3.196000      -2.639100      0.3166000    
 H   -3.436600      -3.053200      -1.404600    
 H    1.768400     -0.8894000       1.493000    
 H    1.630700      0.6959000      0.2881000    
 H    5.771800     -0.2129000     -0.3713000    
 H   -5.098100      -1.619100     -0.4754000    
 H   -1.903400       1.283200     -0.6174000    
 H    6.254400       2.178100     -0.7141000    
 H   -6.601500      6.9899999E-02  0.4188000    
 H   -3.438300       2.996600      0.2718000    
 H    4.443800       3.856900     -0.5364000    
 H   -6.962100       2.381000       1.126400    
 H   -5.678300       3.570200       1.064700    
 H  -4.9500000E-02   3.700700      0.3599000    
 H   0.5805000       2.347000       1.291800    
 H   0.2397000       2.187900     -0.4898000    


%chk=000060379-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060379

0 1
O -2.334191 -1.190407 -0.543390
O 4.265678 -2.128965 -0.760880
O 1.541698 3.205290 0.562121
N 2.583061 -1.968760 0.840618
N -5.958838 3.127319 0.026806
C -0.228028 -3.051298 0.451870
C 1.055062 -3.794899 0.024025
C -1.466126 -3.436273 -0.387178
C 2.294805 -3.411885 0.871076
C -2.680638 -2.549368 -0.093310
C 3.513974 -1.412527 -0.026058
C 3.587942 0.095959 -0.027181
C -3.297604 -0.173421 -0.365546
C 2.465186 0.904057 0.301574
C 4.809451 0.699338 -0.404316
C -4.539640 -0.336261 0.293184
C -2.956326 1.093327 -0.899186
C 2.585486 2.313918 0.269450
C 4.917398 2.108609 -0.426999
C -5.421167 0.760595 0.421651
C -3.833681 2.184272 -0.770019
C -5.086395 2.038799 -0.102610
C 3.817045 2.919534 -0.088148
C 0.251031 2.635112 0.960286
H -0.435784 -3.248406 1.525823
H -0.071740 -1.960720 0.345533
H 1.272565 -3.577275 -1.039651
H 0.906356 -4.891463 0.104517
H -1.226087 -3.356201 -1.465035
H -1.746332 -4.491729 -0.194555
H 2.146252 -3.719530 1.924328
H 3.190338 -3.926589 0.481494
H -2.907765 -2.539832 0.994946
H -3.579897 -2.901434 -0.640715
H 2.075361 -1.355433 1.477953
H 1.497323 0.440398 0.520027
H 5.647571 0.053181 -0.681517
H -4.837099 -1.304269 0.707770
H -2.005324 1.198440 -1.432572
H 5.864516 2.579317 -0.711874
H -6.381050 0.619067 0.933609
H -3.553956 3.155514 -1.196520
H 3.878695 4.011897 -0.104905
H -6.858779 3.021702 0.484122
H -5.724239 4.031689 -0.369846
H -0.399919 3.499970 1.153326
H 0.347105 2.028499 1.882160
H -0.188695 2.016142 0.155240


