%chk=000030463.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030463

0 1
 O  -0.8606000      -2.226800      9.4800003E-02
 O   -1.188500       1.766300      0.8055000    
 N   -2.221000     -0.2661000      0.3213000    
 N    3.746300      0.8873000     -0.1467000    
 C   -3.578300      0.2034000      0.5444000    
 C   0.1729000     -3.7599999E-02  0.1765000    
 C   -2.050300      -1.555800     -0.3280000    
 C   -1.134800      0.5908000      0.4600000    
 C   0.2443000      -1.423200      2.3399999E-02
 C   -4.230100      0.7222000     -0.7318000    
 C    1.336500      0.7348000      0.1200000    
 C    2.568700      0.1124000     -8.5400000E-02
 C    1.479400      -2.044800     -0.1597000    
 C    2.640700      -1.274600     -0.2211000    
 C   -5.644400       1.236200     -0.5030000    
 C    5.011900      0.3340000      0.2914000    
 C    3.707200       2.241300     -0.6616000    
 H   -3.550400       1.009300       1.287400    
 H   -4.162600     -0.6153000      0.9795000    
 H   -2.894400      -2.205200     -7.5400002E-02
 H   -2.029700      -1.412300      -1.415400    
 H   -3.621100       1.529000      -1.157400    
 H   -4.261200     -7.3899999E-02  -1.485300    
 H    1.272700       1.810900      0.2543000    
 H    1.543700      -3.124400     -0.2650000    
 H    3.585000      -1.785700     -0.3859000    
 H   -6.290100      0.4422000     -0.1148000    
 H   -5.647800       2.063900      0.2133000    
 H   -6.074100       1.596800      -1.442700    
 H    4.899600     -0.2428000       1.216500    
 H    5.737500       1.127600      0.5023000    
 H    5.443400     -0.3091000     -0.4827000    
 H    4.704900       2.577200     -0.9655000    
 H    3.344700       2.936900      0.1026000    
 H    3.066600       2.315700      -1.547800    


%chk=000030463-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030463

0 1
O -0.906098 -2.228556 0.198080
O -1.237969 1.905032 0.481783
N -2.227604 -0.188903 0.129185
N 3.834879 0.876349 -0.149167
C -3.584349 0.300002 0.441730
C 0.194119 -0.023517 0.038809
C -2.039780 -1.531431 -0.427964
C -1.123421 0.668121 0.208265
C 0.271585 -1.440633 0.103562
C -4.412944 0.672019 -0.811856
C 1.377109 0.741825 -0.043122
C 2.659555 0.119454 -0.054618
C 1.525632 -2.077930 0.127080
C 2.703536 -1.311871 0.047288
C -5.818007 1.182154 -0.428528
C 5.141023 0.212437 -0.113669
C 3.753641 2.339382 -0.217404
H -3.462273 1.194600 1.076861
H -4.112270 -0.477506 1.029906
H -2.929827 -2.146004 -0.223983
H -1.841982 -1.486539 -1.521178
H -3.866323 1.450732 -1.375966
H -4.503840 -0.209305 -1.478584
H 1.258173 1.828540 -0.056089
H 1.570714 -3.168931 0.198701
H 3.664163 -1.833914 0.060797
H -6.388334 0.412385 0.125589
H -5.749807 2.079363 0.214306
H -6.402801 1.453685 -1.325482
H 5.306235 -0.337229 0.837199
H 5.937598 0.967236 -0.208487
H 5.259624 -0.509914 -0.947821
H 4.766936 2.759008 -0.320992
H 3.293334 2.775944 0.693472
H 3.156373 2.674513 -1.089707


