%chk=000029526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029526

0 1
 O   0.3065000       2.237400     -9.1000004E-03
 O    5.612600      -1.153000     -4.0600002E-02
 O   -6.771300      0.1055000      0.1859000    
 O   -5.459400      -1.496800     -0.7490000    
 N   -3.206600     -0.1102000     -1.7000000E-03
 C   -2.077600      0.8197000      6.0000001E-03
 C  -0.7462000      6.8700001E-02  1.3700000E-02
 C   -4.465800      0.6178000     -0.1565000    
 C   0.4444000       1.016300     -3.1999999E-03
 C   -3.217700     -0.9603000       1.216500    
 C    1.820800      0.4383000     -1.3700000E-02
 C    1.961000     -0.9304000     -7.7000000E-03
 C    2.895900       1.297300     -2.8700000E-02
 C   -5.586700     -0.3783000     -0.2674000    
 C    3.247100      -1.470100     -1.7100001E-02
 C    4.182100      0.7576000     -3.8300000E-02
 C    4.357800     -0.6262000     -3.2600001E-02
 C    6.703100     -0.2331000     -5.6400001E-02
 H   -2.133300       1.499800      0.8665000    
 H   -2.112900       1.446400     -0.8948000    
 H  -0.6490000     -0.5257000      0.9274000    
 H  -0.6952000     -0.5806000     -0.8679000    
 H   -4.470700       1.217100      -1.073700    
 H   -4.645500       1.275700      0.7021000    
 H   -2.375500      -1.658600       1.213500    
 H   -4.101600      -1.599900       1.291200    
 H   -3.172500     -0.3517000       2.127000    
 H    1.128700      -1.624300      4.6000001E-03
 H    2.780100       2.376700     -3.3300001E-02
 H    3.378500      -2.548800     -1.2200000E-02
 H    4.999900       1.470000     -4.9899999E-02
 H   -7.494800     -0.5500000      8.9900002E-02
 H    6.706200      0.3717000     -0.9696000    
 H    7.624600     -0.8244000     -6.1700001E-02
 H    6.723500      0.3824000      0.8493000    


%chk=000029526-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029526

0 1
O 0.226152 2.261640 0.019119
O 5.721137 -1.136749 -0.189590
O -6.726889 0.377201 -0.913685
O -5.598052 -1.634084 -0.643399
N -3.261405 -0.152261 0.310040
C -2.113067 0.787157 0.382165
C -0.766296 0.049979 0.287920
C -4.511414 0.537496 -0.030358
C 0.415640 1.008509 0.107089
C -3.394415 -1.012347 1.506926
C 1.795883 0.436439 0.032512
C 2.059229 -0.963735 0.074853
C 2.895949 1.326424 -0.090501
C -5.607435 -0.391350 -0.543207
C 3.371581 -1.452898 -0.002087
C 4.218153 0.853742 -0.166587
C 4.457683 -0.546098 -0.122094
C 6.887862 -0.255286 -0.317617
H -2.132000 1.411197 1.309703
H -2.178141 1.491516 -0.466033
H -0.583360 -0.571416 1.186500
H -0.808706 -0.652898 -0.568635
H -4.319849 1.274467 -0.832091
H -4.956093 1.120327 0.818757
H -2.473959 -1.601798 1.652355
H -4.220015 -1.725677 1.357328
H -3.582632 -0.423432 2.440665
H 1.235092 -1.678978 0.162344
H 2.681898 2.400101 -0.124936
H 3.587392 -2.524966 0.026212
H 5.043780 1.565332 -0.259158
H -7.441699 -0.229666 -1.247973
H 6.839701 0.339217 -1.249869
H 7.753315 -0.932355 -0.352040
H 6.975484 0.421251 0.553872


