%chk=000043569.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043569

0 1
 O   -2.716200       2.444600      0.7906000    
 O   -4.543300       1.245600     -0.9223000    
 O    5.222200       1.597400     -0.9838000    
 N  -0.7630000      -3.490200     -0.5516000    
 C  -4.5000002E-02  -1.583600      0.7523000    
 C   -1.167000     -0.8522000      0.3456000    
 C   0.9945000      -1.031600       1.670400    
 C   -2.097700      -1.457300     -0.5241000    
 C    2.129900     -0.3257000      0.9579000    
 C   -1.392400      0.4647000      0.7787000    
 C   -3.230700     -0.7404000     -0.9432000    
 C   0.1061000      -2.878800      0.2811000    
 C   -2.521800       1.167900      0.3556000    
 C   -3.438900      0.5666000     -0.5033000    
 C   -1.840200      -2.767300     -0.9329000    
 C    2.026200       1.029800      0.7036000    
 C    3.243100      -1.053700      0.5785000    
 C    3.071500       1.679600      4.7300000E-02
 C    4.288500     -0.4039000     -7.7799998E-02
 C    4.202800      0.9629000     -0.3433000    
 C   -2.160000       3.490800     -2.9000000E-03
 C   -5.717700       1.129900     -0.1214000    
 C    6.349100      0.8049000      -1.355200    
 H    1.416500      -1.852200       2.270100    
 H   0.5638000     -0.3802000       2.440400    
 H  -0.7435000      0.9653000       1.486200    
 H   -3.952200      -1.201100      -1.615000    
 H   0.9568000      -3.491000      0.5654000    
 H   -2.516700      -3.291900      -1.602100    
 H    1.177700       1.621600       1.020100    
 H    3.319400      -2.117900      0.7814000    
 H    3.002200       2.745700     -0.1512000    
 H    5.137300      -1.020600     -0.3531000    
 H   -2.403600       4.446100      0.4700000    
 H   -2.587700       3.479800      -1.010300    
 H   -1.070800       3.394000     -5.5900000E-02
 H   -6.051500      8.8200003E-02 -7.8699999E-02
 H   -6.506500       1.731400     -0.5813000    
 H   -5.533900       1.507600      0.8893000    
 H    7.062200       1.470100      -1.852900    
 H    6.075100      3.0400001E-02  -2.079600    
 H    6.856900      0.3912000     -0.4774000    


%chk=000043569-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043569

0 1
O -2.156525 2.413725 0.329321
O -4.183572 1.139614 -1.322322
O 4.994244 2.003600 -0.419457
N -1.044905 -3.986516 -0.011393
C -0.055339 -2.001266 1.082234
C -1.066450 -1.156077 0.492027
C 1.031620 -1.449813 1.993389
C -2.062560 -1.780419 -0.353920
C 2.059458 -0.542108 1.308358
C -1.129499 0.260442 0.686926
C -3.099507 -0.986173 -0.936733
C -0.102817 -3.373167 0.798459
C -2.134468 1.022539 0.091167
C -3.156825 0.387495 -0.710654
C -1.986495 -3.198686 -0.562032
C 2.521718 0.637546 1.949922
C 2.604540 -0.868867 0.044661
C 3.495311 1.461187 1.354951
C 3.583197 -0.055474 -0.570653
C 4.030720 1.115876 0.089316
C -1.941190 3.253692 -0.875289
C -5.115437 1.803870 -0.377706
C 5.583916 1.684542 -1.721217
H 1.559299 -2.310363 2.451237
H 0.570772 -0.893598 2.833616
H -0.371032 0.781936 1.276455
H -3.872434 -1.452462 -1.557220
H 0.643199 -4.049596 1.233032
H -2.729430 -3.694623 -1.200088
H 2.115653 0.914995 2.931046
H 2.257145 -1.770087 -0.474157
H 3.853280 2.371266 1.845947
H 3.981670 -0.340802 -1.548967
H -2.043558 4.292657 -0.527812
H -2.691585 3.027531 -1.653615
H -0.921585 3.086658 -1.269920
H -5.681476 1.041853 0.190475
H -5.802209 2.387968 -1.008564
H -4.568053 2.464635 0.317652
H 6.299323 2.496119 -1.919612
H 4.815126 1.662153 -2.518337
H 6.118265 0.714696 -1.695321


