%chk=000005024.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005024

0 1
 O    3.650400      -1.268200      -1.291000    
 O    4.218400      8.7800004E-02   1.064600    
 N   -2.059500       2.307300     -0.2947000    
 C   -1.059100      8.5400000E-02  -1.090500    
 C   -1.523200       1.530900      -1.425900    
 C   0.3426000      0.1199000     -0.4869000    
 C   -1.023100       2.732000      0.6568000    
 C  -0.4202000       1.577400       1.459200    
 C   0.6355000      0.8136000      0.7028000    
 C   -2.068900     -0.8069000     -0.3587000    
 C    1.377100     -0.5760000      -1.142700    
 C    1.947400      0.7871000       1.208100    
 C   -2.771600       3.486600     -0.8007000    
 C    2.673600     -0.5885000     -0.6307000    
 C    2.958600      9.2799999E-02  0.5458000    
 C   -1.612300      -1.797100      0.5029000    
 C   -3.429900     -0.6158000     -0.5641000    
 C   -2.530800      -2.608600       1.168800    
 C   -4.348100      -1.427300      0.1020000    
 C   -3.898500      -2.423800      0.9685000    
 C    3.842300      -2.635700     -0.9346000    
 C    5.099300       1.127000      0.6410000    
 H  -0.9592000     -0.4013000      -2.073800    
 H  -0.7087000       2.084200      -1.915800    
 H   -2.307000       1.442800      -2.191000    
 H   -1.491000       3.400400       1.392200    
 H  -0.2378000       3.315600      0.1577000    
 H   -1.196800      0.8939000       1.821600    
 H   2.6799999E-02   2.004800       2.366800    
 H    1.169400      -1.117700      -2.063400    
 H    2.185600       1.315100       2.129300    
 H   -2.109500       4.161200      -1.355400    
 H   -3.227100       4.047600      2.3100000E-02
 H   -3.594600       3.188500      -1.460000    
 H  -0.5583000      -1.987400      0.6748000    
 H   -3.814500      0.1357000      -1.245100    
 H   -2.181200      -3.387300       1.840400    
 H   -5.413300      -1.286800     -5.7200000E-02
 H   -4.613600      -3.056900       1.485600    
 H    4.119400      -2.723900      0.1206000    
 H    4.656000      -3.037700      -1.544500    
 H    2.935300      -3.215100      -1.134900    
 H    6.063000      0.9823000       1.136800    
 H    4.701900       2.106200      0.9263000    
 H    5.252800       1.084200     -0.4419000    


%chk=000005024-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005024

0 1
O 3.646560 -1.279676 -1.298402
O 4.189527 0.133716 1.223669
N -2.124058 2.411065 -0.374876
C -1.113618 0.138842 -1.118344
C -1.628102 1.561738 -1.483084
C 0.283840 0.149391 -0.489160
C -1.112804 2.796646 0.637858
C -0.549946 1.603137 1.451789
C 0.543538 0.825411 0.738865
C -2.113023 -0.753960 -0.349593
C 1.338602 -0.541644 -1.128839
C 1.854227 0.800764 1.268696
C -2.841792 3.592832 -0.897441
C 2.640912 -0.579151 -0.587068
C 2.908252 0.123368 0.619319
C -1.683508 -2.028804 0.107993
C -3.471746 -0.396338 -0.153232
C -2.579580 -2.920644 0.736265
C -4.371962 -1.288493 0.474061
C -3.933189 -2.555182 0.920607
C 4.227503 -2.429152 -0.566770
C 5.242545 0.792622 0.417050
H -0.988399 -0.347539 -2.110078
H -0.806275 2.070029 -2.050983
H -2.473906 1.442833 -2.188889
H -1.618788 3.485029 1.341692
H -0.260545 3.364013 0.179924
H -1.401116 0.943550 1.707887
H -0.146341 2.000780 2.401285
H 1.164604 -1.080849 -2.067275
H 2.087474 1.326006 2.201614
H -2.187750 4.291995 -1.478414
H -3.284303 4.160596 -0.059247
H -3.662868 3.269154 -1.563288
H -0.634834 -2.320431 -0.023181
H -3.813513 0.597812 -0.451849
H -2.222508 -3.898102 1.081056
H -5.416538 -0.989007 0.619974
H -4.632021 -3.244201 1.408606
H 4.661857 -2.108002 0.397298
H 5.009358 -2.833039 -1.228107
H 3.451234 -3.197840 -0.388780
H 6.170789 0.679866 0.997930
H 5.006687 1.866441 0.288981
H 5.343126 0.312716 -0.573318


