%chk=000125992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125992

0 1
 O   0.1842000       1.141500     -0.4377000    
 O   -1.866600       1.453200      0.6328000    
 O    1.026400     -0.4392000       1.820900    
 N   -2.280900      -1.358400      0.6417000    
 N  -0.8716000      -1.229900      -1.155100    
 C  -0.7449000      0.5872000      0.4834000    
 C   -1.307000     -0.7074000     -4.2199999E-02
 C  -0.1201000      0.4112000       1.861900    
 C   -2.635100      -2.554100     -6.3800000E-02
 C   -1.688900      -2.480600      -1.277900    
 C    1.453500      0.6468000     -0.3058000    
 C    1.859100     -0.1277000      0.7810000    
 C   -2.528400       1.661900     -0.6058000    
 C    2.358600      0.9481000      -1.324400    
 C    3.157700     -0.6359000      0.8321000    
 C   -3.715700       2.574400     -0.3829000    
 C    3.661100      0.4521000      -1.266300    
 C    4.058700     -0.3432000     -0.1917000    
 H   0.1830000       1.381700       2.278500    
 H  -0.8311000     -1.7600000E-02   2.577300    
 H   -3.684100      -2.540600     -0.3733000    
 H   -2.444400      -3.446800      0.5387000    
 H   -2.719900      -1.058900       1.503200    
 H   -1.021300      -3.348400      -1.306000    
 H   -2.256300      -2.452600      -2.214200    
 H   -1.853900       2.138700      -1.325700    
 H   -2.913000      0.7357000      -1.042600    
 H    2.054000       1.558200      -2.170400    
 H    3.477100      -1.251100       1.668900    
 H   -4.244400       2.766500      -1.320900    
 H   -4.415500       2.128400      0.3317000    
 H   -3.393000       3.530700      4.2100001E-02
 H    4.364800      0.6813000      -2.061200    
 H    5.071800     -0.7326000     -0.1506000    


%chk=000125992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125992

0 1
O 0.152598 1.065998 -0.505461
O -1.884126 1.415939 0.637983
O 1.060508 -0.495054 1.774255
N -2.485508 -1.378404 0.511231
N -0.740503 -1.610732 -0.982991
C -0.804434 0.477542 0.447140
C -1.325959 -0.860526 -0.078230
C -0.135398 0.352346 1.838681
C -2.838058 -2.653612 -0.156724
C -1.571412 -2.865586 -1.075815
C 1.495877 0.634780 -0.380143
C 1.941939 -0.127407 0.729324
C -2.562776 1.850563 -0.618345
C 2.396687 0.991409 -1.400930
C 3.281007 -0.555039 0.802172
C -3.710175 2.764906 -0.198704
C 3.743065 0.573873 -1.322550
C 4.183654 -0.207174 -0.226435
H 0.127815 1.372568 2.176617
H -0.811323 -0.130776 2.558425
H -3.771020 -2.557449 -0.747366
H -2.968818 -3.472355 0.573001
H -3.136034 -0.809879 1.051659
H -0.956550 -3.715757 -0.728412
H -1.840024 -3.053629 -2.129636
H -1.823901 2.374606 -1.248729
H -2.925199 0.956480 -1.165892
H 2.024411 1.574815 -2.248536
H 3.594174 -1.149464 1.666215
H -4.242115 3.137667 -1.092914
H -4.434668 2.229625 0.439978
H -3.326838 3.632651 0.364810
H 4.441776 0.849515 -2.119252
H 5.225226 -0.539841 -0.168723


