%chk=000100145.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100145

0 1
 O    1.218600     -0.5339000     -0.3952000    
 O    3.274100      0.1422000       1.652800    
 O    3.021500      -1.596100      -2.179300    
 O   -3.925200      0.5932000      -1.402000    
 O   -2.222100       1.878700     -0.8685000    
 N   -1.010200     -0.4273000      0.3037000    
 N   -3.088800      -1.112600      0.6685000    
 N   -2.846800      0.7841000     -0.7709000    
 C    2.448900      0.1532000     -0.6567000    
 C   0.1147000      0.3653000     -0.2113000    
 C    2.847100      0.9770000      0.5811000    
 C   0.4352000       1.520600      0.6996000    
 C    1.691000       1.787000       1.082200    
 C    3.488100     -0.8914000      -1.042500    
 C   -2.337400     -0.2303000      4.8000000E-02
 C  -0.9061000      -1.501800       1.139400    
 C   -2.202700      -1.907900       1.351100    
 H    2.281400      0.8139000      -1.519000    
 H  -0.1587000      0.7219000      -1.209100    
 H    3.681000       1.639000      0.3247000    
 H  -0.3706000       2.147100       1.069900    
 H    1.887400       2.609100       1.763100    
 H    3.631700      -1.624500     -0.2423000    
 H    4.447500     -0.4223000      -1.281200    
 H   3.8800001E-02  -1.874100       1.510400    
 H    2.580300     -0.5213000       1.811100    
 H   -2.543200      -2.731300       1.961800    
 H    3.700700      -2.253300      -2.408300    


%chk=000100145-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100145

0 1
O 1.220054 -0.609381 -0.277082
O 3.467931 0.308342 1.669223
O 3.322090 -1.413785 -2.305845
O -4.260167 1.004092 -0.731446
O -2.136285 1.804649 -1.051114
N -1.054156 -0.448190 0.237631
N -3.173908 -1.154425 0.729662
N -2.988089 0.922547 -0.591518
C 2.489210 0.084742 -0.631073
C 0.105196 0.335834 -0.278031
C 2.873913 1.035640 0.521706
C 0.404095 1.543550 0.600848
C 1.674502 1.852706 0.965094
C 3.530972 -0.988557 -0.916404
C -2.434008 -0.208541 0.115237
C -0.937441 -1.619958 0.975170
C -2.249417 -2.036256 1.268554
H 2.331364 0.675929 -1.558088
H -0.136910 0.654165 -1.310751
H 3.695057 1.696029 0.191016
H -0.448375 2.161941 0.897670
H 1.872734 2.711236 1.616549
H 3.405465 -1.824404 -0.200090
H 4.542620 -0.555259 -0.774825
H 0.032868 -2.055057 1.187191
H 2.747437 -0.226914 2.092640
H -2.565985 -2.913352 1.827149
H 3.845434 -2.233125 -2.487974


