%chk=000025922.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025922

0 1
 O    2.831500      0.4795000      0.6921000    
 O   -3.659100      0.9532000      0.8366000    
 O   -5.250700      -1.231200      0.8462000    
 N   -4.272800      -1.047500     -0.1404000    
 C   -1.086500      0.2836000     -0.6643000    
 C    3.720700     -0.5494000      0.2602000    
 C    1.546800      0.4148000      0.2474000    
 C    5.133400      1.1700000E-02  0.2076000    
 C   -2.493900      0.2135000      -1.151800    
 C  -0.5053000       1.521000     -0.3875000    
 C  -0.3513000     -0.8882000     -0.4853000    
 C   0.8113000       1.586500      6.8300001E-02
 C   0.9654000     -0.8226000     -2.9400000E-02
 C    6.136700      -1.027100     -0.2604000    
 C   -3.526000      0.1022000     -3.9299998E-02
 H    3.463100     -0.9083000     -0.7450000    
 H    3.672400      -1.384100      0.9692000    
 H    5.159800      0.8811000     -0.4603000    
 H    5.417900      0.3847000       1.198700    
 H   -2.596200     -0.6190000      -1.859600    
 H   -2.740700       1.112100      -1.732300    
 H   -1.067900       2.441200     -0.5212000    
 H  -0.7963000      -1.858400     -0.6902000    
 H    1.258900       2.553300      0.2825000    
 H    1.493000      -1.759500      0.1231000    
 H    5.894500      -1.381800      -1.267300    
 H    7.143200     -0.5980000     -0.2849000    
 H    6.151700      -1.889500      0.4136000    
 H   -4.272200      -1.703700     -0.9127000    
 H   -4.761400      -1.793400       1.470500    


%chk=000025922-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025922

0 1
O 2.861386 0.525319 0.275951
O -3.873070 1.185264 0.596855
O -5.104951 -0.975615 1.514632
N -4.255912 -1.046075 0.354443
C -1.212289 0.099350 -0.838004
C 3.865642 -0.489277 -0.097747
C 1.533464 0.315096 -0.125850
C 5.213804 -0.006230 0.442477
C -2.683508 -0.010085 -1.239258
C -0.740824 1.218780 -0.098110
C -0.286906 -0.902270 -1.207845
C 0.614699 1.326760 0.255382
C 1.081963 -0.807451 -0.861796
C 6.348111 -1.003305 0.119348
C -3.628222 0.103938 -0.047893
H 3.895437 -0.595340 -1.202853
H 3.588817 -1.468973 0.345841
H 5.437991 0.984766 0.006141
H 5.128152 0.136153 1.535730
H -2.858150 -0.959044 -1.779890
H -2.957157 0.811524 -1.928347
H -1.450695 1.994274 0.209587
H -0.628084 -1.773263 -1.781712
H 0.987487 2.182669 0.826275
H 1.769930 -1.601203 -1.166615
H 6.468549 -1.138741 -0.971976
H 7.311388 -0.642087 0.520346
H 6.150827 -1.996814 0.564307
H -4.129529 -2.001898 0.027979
H -5.028351 0.010478 1.736701


