%chk=000047666.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047666

0 1
 O    5.182600       2.593800      0.7392000    
 O    6.075900       1.507300      -1.046400    
 N   -1.091400      -2.543000      6.9999998E-04
 N  -1.7800000E-02  -1.710700     -0.1171000    
 N   0.9709000      -2.073900      0.5526000    
 N   -5.322800       3.695700      0.4534000    
 C   -2.195200      -2.267100     -0.9205000    
 C   -2.873700     -0.9729000     -0.6228000    
 C   -2.428800      0.2034000      -1.226200    
 C   -3.953600     -0.9388000      0.2594000    
 C   -1.374600      -3.316200       1.188900    
 C   -3.063800       1.413600     -0.9476000    
 C   -4.588700      0.2715000      0.5380000    
 C   -4.143800       1.447700     -6.5499999E-02
 C    2.025300      -1.163400      0.3721000    
 C    4.115400      0.6396000      1.5400000E-02
 C    2.942100      -1.363000     -0.6555000    
 C    2.146300     -6.8800002E-02   1.222800    
 C    3.989500     -0.4593000     -0.8344000    
 C    3.193700      0.8348000       1.044000    
 C    5.206800       1.582200     -0.1713000    
 C   -4.794100       2.687600      0.2207000    
 H   -2.903900      -3.103800     -0.9004000    
 H   -1.780300      -2.254600      -1.936800    
 H   -1.589000      0.1916000      -1.916000    
 H   -4.309500      -1.848200      0.7363000    
 H  -0.4587000      -3.737800       1.611000    
 H   -2.039400      -4.147200      0.9355000    
 H   -1.856900      -2.671400       1.928500    
 H   -2.705300       2.322100      -1.425800    
 H   -5.429000      0.2819000       1.228100    
 H    2.851900      -2.217000      -1.321500    
 H    1.432600      9.0000004E-02   2.026900    
 H    4.697000     -0.6294000      -1.641700    
 H    3.254000       1.676400       1.728300    
 H    5.922200       3.224100      0.6043000    


%chk=000047666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047666

0 1
O 6.419407 1.889769 -0.987158
O 7.215928 0.632273 0.795487
N -1.037524 -1.746809 -0.347526
N 0.153162 -1.109643 -0.508842
N 1.075974 -1.512336 0.344530
N -7.385414 2.080895 1.833941
C -2.107901 -1.330937 -1.265565
C -3.257801 -0.603545 -0.570412
C -2.995499 0.461771 0.329595
C -4.601651 -0.963483 -0.836047
C -1.250678 -2.775158 0.686039
C -4.051132 1.154730 0.949742
C -5.669014 -0.275897 -0.224147
C -5.399766 0.790356 0.675874
C 2.329646 -0.847701 0.178833
C 4.907268 0.332988 0.052685
C 3.346035 -1.238159 1.094404
C 2.617994 0.142790 -0.807429
C 4.621639 -0.654393 1.033017
C 3.893831 0.724064 -0.865627
C 6.265779 0.922698 0.025588
C -6.484478 1.495388 1.308584
H -2.497857 -2.214320 -1.807237
H -1.624963 -0.668742 -2.006673
H -1.958742 0.745181 0.543054
H -4.817762 -1.787129 -1.526963
H -0.570733 -3.630480 0.521664
H -2.300190 -3.104822 0.640599
H -1.027258 -2.368106 1.688212
H -3.845347 1.977008 1.642055
H -6.705553 -0.558215 -0.432820
H 3.104505 -2.000554 1.841624
H 1.835685 0.438592 -1.512080
H 5.412358 -0.945262 1.731966
H 4.126577 1.484338 -1.616629
H 7.349375 2.239648 -0.945734


