%chk=000098020.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098020

0 1
 O  -0.2377000      0.9175000      -2.454700    
 O   -1.747500       3.029300       1.324600    
 N  -0.6845000      0.9729000      0.9932000    
 N   -1.131500       2.246200     -0.7766000    
 C   -1.088000      -1.045000     -0.2843000    
 C  -0.1941000      0.1718000     -0.1197000    
 C   -1.034500      -1.996100      0.9072000    
 C   -2.571200     -0.6964000     -0.3559000    
 C   -2.289200      -2.850800      0.7564000    
 C   -3.274000      -2.018800     -6.7000002E-02
 C    1.298800     -9.5700003E-02  8.8000000E-03
 C  -0.5040000       1.131000      -1.279200    
 C   -1.251000       2.184100      0.5930000    
 C    2.087800      0.7225000      0.8185000    
 C    1.880200      -1.159500     -0.6823000    
 C    3.455900      0.4774000      0.9366000    
 C    3.248300      -1.404400     -0.5640000    
 C    4.036100     -0.5860000      0.2454000    
 H  -0.8390000      -1.599600      -1.199200    
 H   -1.079800      -1.467300       1.865600    
 H  -0.1334000      -2.616800      0.9161000    
 H   -2.869500     -0.2984000      -1.331200    
 H   -2.889500      1.8300001E-02  0.4097000    
 H   -2.704200      -3.123700       1.732000    
 H   -2.056700      -3.781900      0.2267000    
 H   -3.505700      -2.539800      -1.003200    
 H   -4.219000      -1.863700      0.4635000    
 H  -0.6264000      0.6904000       1.966900    
 H   -1.449000       3.025300      -1.341800    
 H    1.679500       1.569500       1.361600    
 H    1.302300      -1.805900      -1.334500    
 H    4.070400       1.116600       1.563800    
 H    3.701300      -2.229800      -1.105300    
 H    5.101600     -0.7757000      0.3360000    


%chk=000098020-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000098020

0 1
O -0.307300 0.765613 -2.580425
O -1.631614 3.398155 1.098640
N -0.731990 1.197339 0.937280
N -0.994573 2.354756 -0.960173
C -1.114769 -1.035798 -0.182000
C -0.254613 0.270433 -0.105834
C -1.038126 -1.931259 1.082005
C -2.638239 -0.820171 -0.367668
C -2.223364 -2.925836 0.910391
C -3.262202 -2.203290 -0.018789
C 1.251118 -0.052624 0.017558
C -0.501161 1.125067 -1.395957
C -1.170108 2.423789 0.459642
C 2.029707 0.442428 1.091156
C 1.876571 -0.856822 -0.971305
C 3.402371 0.118506 1.192629
C 3.247597 -1.174399 -0.871930
C 4.015940 -0.695449 0.215009
H -0.733907 -1.608886 -1.050104
H -1.196906 -1.316157 1.991633
H -0.063727 -2.437223 1.190980
H -2.899735 -0.484699 -1.386711
H -2.992678 -0.048974 0.343621
H -2.661121 -3.203879 1.885340
H -1.870483 -3.860702 0.438159
H -3.426812 -2.793210 -0.938659
H -4.245972 -2.089533 0.469743
H -0.803023 0.962267 1.924756
H -1.242248 3.131002 -1.574212
H 1.574598 1.097396 1.841292
H 1.300977 -1.204382 -1.835516
H 3.990516 0.508284 2.030987
H 3.718099 -1.789413 -1.647062
H 5.079978 -0.944829 0.292226


