%chk=000043448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043448

0 1
 O  -0.9707000     -0.5495000      0.9962000    
 O   -1.886800      -1.407600     -0.9272000    
 N    1.652300      0.6322000      0.3702000    
 N   -3.176800     -0.3438000      0.6811000    
 C   0.3446000      -1.005000      0.5519000    
 C    1.544000     -0.4757000       1.350600    
 C   0.9633000     -0.2307000     -0.6205000    
 C    3.054400      0.7950000     -2.2000000E-02
 C    3.875600       1.110200       1.234000    
 C    3.171000       1.947500      -1.027300    
 C    3.542100     -0.4575000     -0.6339000    
 C   -2.000100     -0.8238000      0.1456000    
 C   -4.462200     -0.4683000      3.3300001E-02
 C    3.940500      -1.475300      -1.131700    
 C   -4.770900      0.7150000     -0.8761000    
 C   -4.820200       2.037500     -0.1242000    
 H   0.3519000      -2.095900      0.4388000    
 H    1.302000     -0.1428000       2.366200    
 H    2.348300      -1.217200       1.429200    
 H    1.463900     -0.8880000      -1.334000    
 H   0.2402000      0.3365000      -1.221300    
 H    3.471700       1.979100       1.767900    
 H    3.940800      0.2780000       1.943700    
 H    4.910900       1.355200      0.9631000    
 H    4.213500       2.105200      -1.329300    
 H    2.599100       1.751700      -1.942600    
 H    2.804500       2.888000     -0.5994000    
 H   -3.135500      0.1271000       1.579800    
 H   -4.476600      -1.395000     -0.5507000    
 H   -5.216900     -0.5541000      0.8222000    
 H    4.292400      -2.378400      -1.572700    
 H   -5.737500      0.5463000      -1.364500    
 H   -4.016300      0.7848000      -1.668600    
 H   -5.558900       2.002400      0.6828000    
 H   -5.101600       2.846800     -0.8057000    
 H   -3.847200       2.289600      0.3087000    


%chk=000043448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043448

0 1
O -0.967901 -0.491906 0.824975
O -2.033491 -1.516277 -1.020100
N 1.861200 0.489989 0.264029
N -3.223357 -0.304246 0.612138
C 0.317908 -1.013073 0.325492
C 1.459768 -0.565500 1.273985
C 0.978610 -0.149270 -0.789601
C 3.306064 0.728582 -0.022761
C 3.965588 1.283895 1.266874
C 3.401882 1.772312 -1.166210
C 3.999247 -0.534920 -0.437073
C -2.091832 -0.830162 0.034165
C -4.553447 -0.448760 0.000648
C 4.482793 -1.622597 -0.767573
C -5.025990 0.812217 -0.762789
C -5.177795 2.056907 0.137420
H 0.213285 -2.085986 0.108112
H 1.140391 -0.161523 2.248546
H 2.216902 -1.365179 1.416700
H 1.528292 -0.780494 -1.518755
H 0.316447 0.553985 -1.319937
H 3.448073 2.212572 1.563637
H 3.892417 0.557776 2.095432
H 5.033949 1.498844 1.092713
H 4.457728 1.995398 -1.397510
H 2.920471 1.399334 -2.087044
H 2.892237 2.699446 -0.851162
H -3.102930 0.247001 1.462144
H -4.495886 -1.306374 -0.691669
H -5.282260 -0.699412 0.796416
H 4.934520 -2.552227 -1.062420
H -5.998860 0.574926 -1.237710
H -4.312100 1.020207 -1.582296
H -5.888177 1.868022 0.965398
H -5.556735 2.920158 -0.438546
H -4.208210 2.355831 0.577931


