%chk=000017201.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017201

0 1
 O   -2.406900       1.617100     -0.5254000    
 O    2.366500       1.668900     -0.5269000    
 N   -2.843500      -3.845200      0.4226000    
 N    2.929400      -3.781300      0.4244000    
 C   -1.213900       2.235100     -0.1895000    
 C    1.181400       2.250600     -0.1961000    
 C  -2.0000000E-02   1.628000     -0.5345000    
 C   -2.514500      0.2806000     -0.2929000    
 C    2.505800      0.3116000     -0.2901000    
 C   -1.247400       3.443700      0.4824000    
 C    1.168300       3.469900      0.4815000    
 C  -4.6000000E-02   4.066300      0.8209000    
 C   -2.077600     -0.2541000      0.9191000    
 C   -3.060500     -0.5550000      -1.267300    
 C    2.078800     -0.2090000      0.9181000    
 C    3.069500     -0.4880000      -1.267800    
 C   -2.732300      -2.459800      0.1824000    
 C    2.786800      -2.398900      0.1836000    
 C   -2.186300      -1.624300       1.156700    
 C   -3.169500      -1.925200      -1.029600    
 C    2.220700      -1.575800       1.157000    
 C    3.211200      -1.855100      -1.028900    
 H  -1.3800000E-02  0.7031000      -1.105000    
 H   -2.192000       3.908800      0.7475000    
 H    2.101000       3.959400      0.7482000    
 H  -5.6200001E-02   5.015300       1.348900    
 H   -1.668400      0.3753000       1.705000    
 H   -3.401900     -0.1444000      -2.213500    
 H    1.656000      0.4140000       1.700800    
 H    3.400000     -6.5899998E-02  -2.211900    
 H   -1.845700      -2.028400       2.106600    
 H   -3.596600      -2.565800      -1.796800    
 H    1.889500      -1.987100       2.107200    
 H    3.653500      -2.486000      -1.795600    
 H   -3.237500      -4.451600     -0.2844000    
 H   -2.524500      -4.233800       1.300000    
 H    2.622100      -4.176300       1.303300    
 H    3.340400      -4.378200     -0.2809000    


%chk=000017201-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017201

0 1
O -2.498583 1.644838 -0.192780
O 2.469127 1.704237 -0.159203
N -3.409193 -3.922416 0.270733
N 3.487115 -3.849374 0.242636
C -1.236324 2.263530 -0.031485
C 1.190387 2.292380 -0.015762
C -0.013716 1.559730 -0.135166
C -2.628401 0.229440 -0.077962
C 2.627678 0.290189 -0.060739
C -1.270245 3.660601 0.182983
C 1.187974 3.689948 0.199233
C -0.049922 4.361411 0.291174
C -2.260257 -0.459000 1.099656
C -3.262678 -0.457283 -1.133187
C 2.268181 -0.418875 1.107174
C 3.279852 -0.371399 -1.121038
C -3.152340 -2.552612 0.155630
C 3.204682 -2.483507 0.142688
C -2.514819 -1.839251 1.213258
C -3.526147 -1.836975 -1.018672
C 2.549221 -1.795122 1.205930
C 3.569597 -1.746985 -1.021476
H 0.000249 0.483872 -0.329015
H -2.237233 4.165358 0.256112
H 2.141611 4.217616 0.284987
H -0.063891 5.444209 0.456560
H -1.785466 0.084584 1.923330
H -3.551243 0.097750 -2.031117
H 1.779239 0.105810 1.934818
H 3.561220 0.199602 -2.011205
H -2.227275 -2.368680 2.129873
H -4.022998 -2.364247 -1.842053
H 2.267957 -2.340818 2.114914
H 4.079993 -2.254907 -1.848719
H -3.869278 -4.430235 -0.478327
H -3.154141 -4.431617 1.111038
H 3.236811 -4.373740 1.075005
H 3.959159 -4.339565 -0.510724


