%chk=000086403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086403

0 1
 O    1.112600     -1.9099999E-02  -1.073100    
 O   -2.150500       2.217800      -1.167400    
 O   -3.920200      3.7700001E-02  0.1403000    
 N   -2.425900      0.9506000       1.705600    
 N   -1.317100       1.095400      -1.271400    
 C  -0.8997000      -1.115000     -0.3652000    
 C   0.4398000      -1.141600     -0.6923000    
 C   -1.586500      -2.248400      1.9400001E-02
 C   -1.649000      0.1689000     -0.4237000    
 C    1.124000      -2.355800     -0.6320000    
 C  -0.9021000      -3.462500      7.9499997E-02
 C   0.4529000      -3.516100     -0.2463000    
 C    2.193900      0.3731000     -0.3033000    
 C   -2.809100      0.3779000      0.5136000    
 C    2.076300      0.3722000       1.075200    
 C    3.365100      0.7568000     -0.9318000    
 C    3.165800      0.7683000       1.850900    
 C    4.454800       1.152800     -0.1560000    
 C    4.355000       1.158500       1.235300    
 C   -3.358900       1.252900       2.765300    
 C   -1.721300       3.175800      -2.122500    
 H   -2.642300      -2.241600      0.2680000    
 H    2.177100      -2.418400     -0.8933000    
 H   -1.425000      -4.366900      0.3769000    
 H   0.9848000      -4.462000     -0.2025000    
 H    1.155800      9.2100002E-02   1.578500    
 H    3.444200      0.7528000      -2.014700    
 H    3.086900      0.7772000       2.934100    
 H    5.380800       1.456800     -0.6354000    
 H   -1.447200       1.176400       1.857700    
 H    5.203000       1.467900       1.839200    
 H   -3.320300       2.327800       2.957600    
 H   -3.043800      0.7134000       3.661700    
 H   -4.376000      0.9603000       2.493800    
 H  -0.6888000       3.477700      -1.920900    
 H   -2.365800       4.055200      -2.045000    
 H   -1.803800       2.767400      -3.134600    


%chk=000086403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086403

0 1
O 1.173527 0.055054 -0.701622
O -2.211372 2.247634 -1.064880
O -2.549328 -0.605718 1.981197
N -3.054113 1.575824 1.326624
N -1.527221 0.957248 -1.200845
C -0.920066 -1.134554 -0.293500
C 0.478928 -1.171781 -0.544622
C -1.609936 -2.369348 -0.169938
C -1.660949 0.157370 -0.153426
C 1.161188 -2.401461 -0.694659
C -0.937798 -3.599017 -0.316563
C 0.451732 -3.613996 -0.584328
C 2.387795 0.272945 0.000590
C -2.461573 0.344979 1.137646
C 2.678514 -0.330817 1.246723
C 3.272117 1.208972 -0.580886
C 3.881399 0.008258 1.905778
C 4.468146 1.538951 0.092516
C 4.781133 0.938934 1.335648
C -3.822436 1.882624 2.536399
C -1.955435 3.020238 -2.293382
H -2.679344 -2.352668 0.055393
H 2.236495 -2.396628 -0.899419
H -1.492011 -4.538075 -0.220019
H 0.981557 -4.564705 -0.708999
H 1.977210 -1.039826 1.697212
H 3.009432 1.659199 -1.542855
H 4.108931 -0.453291 2.873179
H 5.156969 2.263148 -0.356583
H -2.943791 2.272092 0.578705
H 5.710833 1.196062 1.854044
H -4.888078 2.061742 2.298504
H -3.416736 2.778850 3.040720
H -3.751188 1.020505 3.217868
H -0.873027 3.193777 -2.412887
H -2.490289 3.972448 -2.147821
H -2.351715 2.481332 -3.170314


