%chk=000057890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057890

0 1
 O    2.869200     -0.7203000       2.738200    
 O    1.374500      -1.142700      0.4318000    
 O   0.9816000      -2.793400      -1.123700    
 N    3.942000       1.174500     -0.2567000    
 N   -4.812000     -0.1540000     -0.1779000    
 C    3.385900      0.9202000       1.065300    
 C    3.469400     -0.5589000       1.449700    
 C    3.742200       2.573500     -0.6413000    
 C    5.366900      0.8384000     -0.2916000    
 C    2.757500      -1.481400      0.4627000    
 C    2.269500       2.945800     -0.6124000    
 C    5.943600       1.035300      -1.683300    
 C   0.5992000      -1.881200     -0.4075000    
 C  -0.8141000      -1.430100     -0.3482000    
 C   -5.184700       1.195700      0.1136000    
 C   -3.469500     -0.5825000     -0.2359000    
 C   -6.702300       1.337400      0.1666000    
 C   -1.846700      -2.338400     -0.5817000    
 C   -1.109400     -9.7999997E-02 -5.8400001E-02
 C   -3.174300      -1.914600     -0.5256000    
 C   -2.437000      0.3259000     -2.3000001E-03
 C   -7.151400       2.748900      0.5186000    
 H    3.886200       1.524100       1.835300    
 H    2.326300       1.189900       1.129000    
 H    4.508000     -0.8791000       1.571900    
 H    4.308100       3.260300      6.0000003E-04
 H    4.068400       2.738800      -1.673200    
 H    5.943900       1.423500      0.4356000    
 H    5.527100     -0.2189000     -6.2600002E-02
 H    3.188500      -1.405100     -0.5414000    
 H    2.848000      -2.518500      0.8079000    
 H    1.647700       2.193100      -1.109300    
 H    1.896100       3.107100      0.4035000    
 H    2.122100       3.891200      -1.147200    
 H    5.316600      0.5707000      -2.452200    
 H    6.088700       2.091100      -1.931400    
 H    6.931500      0.5642000      -1.740800    
 H    2.943800      -1.658700       2.982000    
 H   -4.776300       1.502700       1.084300    
 H   -4.792200       1.874800     -0.6530000    
 H   -7.133700       1.055200     -0.8019000    
 H   -7.113700      0.6392000      0.9062000    
 H   -5.529600     -0.8456000     -0.3652000    
 H   -1.633200      -3.380300     -0.8056000    
 H  -0.3247000      0.6334000      0.1159000    
 H   -3.969900      -2.632500     -0.7085000    
 H   -2.621400       1.372200      0.2219000    
 H   -6.789900       3.469500     -0.2217000    
 H   -8.244200       2.804400      0.5433000    
 H   -6.772700       3.045700       1.501700    


%chk=000057890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057890

0 1
O 2.854226 -0.694268 2.700930
O 1.325914 -0.955719 0.369693
O 0.829486 -2.659718 -1.144576
N 4.390261 1.177843 -0.219385
N -4.999804 0.083761 -0.216568
C 3.542541 0.961719 0.980083
C 3.474581 -0.535847 1.373795
C 3.877461 2.238311 -1.128264
C 5.829594 1.339362 0.123448
C 2.753866 -1.390897 0.329746
C 2.647224 1.788530 -1.939404
C 6.774010 0.931490 -1.023540
C 0.436141 -1.693244 -0.441808
C -0.951431 -1.194792 -0.353458
C -5.503429 1.228124 0.552497
C -3.673726 -0.319704 -0.253624
C -7.029015 1.371089 0.383526
C -1.962916 -1.878275 -1.087683
C -1.323519 -0.066278 0.425148
C -3.294621 -1.454906 -1.041235
C -2.656732 0.370512 0.478904
C -7.589976 2.569214 1.177043
H 3.908751 1.527570 1.867433
H 2.515860 1.313523 0.772420
H 4.499699 -0.930461 1.494511
H 3.638086 3.175877 -0.564687
H 4.688214 2.496530 -1.833715
H 6.054519 2.387726 0.446264
H 6.040159 0.695852 0.998450
H 3.166733 -1.211601 -0.677358
H 2.800472 -2.466128 0.572995
H 2.902789 0.918472 -2.569687
H 1.805918 1.494232 -1.286235
H 2.295630 2.607716 -2.594374
H 6.591736 -0.118851 -1.310763
H 6.628542 1.558464 -1.921776
H 7.829683 1.036585 -0.710412
H 1.871566 -0.644390 2.567569
H -5.263466 1.100727 1.629902
H -5.006122 2.164431 0.219044
H -7.266919 1.492949 -0.692543
H -7.521015 0.436745 0.720946
H -5.677048 -0.448459 -0.763596
H -1.671553 -2.745501 -1.689705
H -0.552756 0.470350 0.986425
H -4.061401 -1.994569 -1.611261
H -2.913845 1.243952 1.085188
H -7.132508 3.518514 0.841908
H -8.682684 2.656026 1.043884
H -7.389578 2.459911 2.259007


