%chk=000002396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002396

0 1
 O   -1.669900       3.970800     -0.9142000    
 O   -4.543100      0.5775000      -2.003000    
 N    2.069700       1.385600     -0.1180000    
 N   -3.374400       2.538600      -1.575300    
 N    5.814900      -1.595300      -1.249500    
 N   -1.592700      -2.918400      -1.544600    
 C  -0.1467000       1.510000     -0.2306000    
 C    1.627200       1.436100       1.184700    
 C    3.453000       1.300100     -0.5339000    
 C   0.2336000       1.514800       1.142600    
 C   -1.465200       1.574600     -0.7804000    
 C    1.006700       1.429700     -0.9798000    
 C    3.923500     -0.1474000     -0.6733000    
 C   -2.314200      0.5773000      -1.089700    
 C   -2.131000     -0.8373000     -0.9910000    
 C    5.388200     -0.2090000      -1.101000    
 C    2.346900       1.418200       2.384800    
 C  -0.4790000       1.579000       2.356500    
 C   -2.142700       2.860300      -1.087200    
 C   -2.423800      -1.682100      0.1160000    
 C   -3.562600       1.188800      -1.612800    
 C   -2.076900      -2.982200     -0.2575000    
 C   -1.621300      -1.626300      -1.996400    
 C    1.618800       1.482700       3.576200    
 C   0.2276000       1.561900       3.564600    
 C   -2.952500      -1.464600       1.403900    
 C   -2.232800      -4.080200      0.5960000    
 C    5.702300      -2.308500      2.4100000E-02
 C    7.189700      -1.661100      -1.748300    
 C   -3.114200      -2.553500       2.268400    
 C   -2.759100      -3.840300       1.868600    
 H    3.540600       1.825400      -1.492700    
 H    4.066000       1.851600      0.1871000    
 H    1.157400       1.398600      -2.051300    
 H    3.765500     -0.6329000      0.2956000    
 H    3.294100     -0.6748000      -1.401900    
 H    6.015100      0.3267000     -0.3759000    
 H    5.489400      0.3112000      -2.062100    
 H    3.429400       1.352600       2.405400    
 H   -1.563400       1.642200       2.365400    
 H   -4.064900       3.218500      -1.872700    
 H   -1.274800      -1.388800      -2.993000    
 H    2.147100       1.469700       4.526100    
 H  -0.3169000       1.610800       4.503900    
 H   -1.263400      -3.711200      -2.078000    
 H   -3.235700     -0.4683000       1.731100    
 H   -1.956600      -5.082300      0.2857000    
 H    6.191200      -1.776100      0.8482000    
 H    6.167600      -3.299100     -5.2099999E-02
 H    4.660400      -2.509600      0.2904000    
 H    7.903100      -1.200100      -1.055500    
 H    7.272800      -1.155400      -2.716800    
 H    7.490900      -2.701700      -1.913400    
 H   -3.521500      -2.391700       3.262800    
 H   -2.893000      -4.671600       2.556100    


%chk=000002396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002396

0 1
O -2.716385 3.794999 0.903457
O -5.038724 0.800431 -1.839452
N 1.669602 1.213658 -0.076376
N -4.142316 2.498537 -0.454911
N 5.110844 -2.461229 0.122090
N -2.466633 -2.449602 -2.792690
C -0.576086 1.639036 0.190142
C 1.547001 1.969499 1.106580
C 2.922101 0.655406 -0.609290
C 0.151618 2.268578 1.299321
C -1.993716 1.621454 -0.133129
C 0.405579 1.011498 -0.605502
C 3.364874 -0.639208 0.115230
C -2.718638 0.703443 -0.905639
C -2.387276 -0.616492 -1.421959
C 4.691291 -1.168246 -0.466812
C 2.556516 2.399063 1.994756
C -0.219885 3.027464 2.440865
C -2.922228 2.768000 0.207103
C -1.527327 -1.660563 -0.859443
C -4.090650 1.275667 -1.157940
C -1.593448 -2.791803 -1.746747
C -2.951188 -1.162882 -2.592011
C 2.154939 3.148385 3.118498
C 0.780774 3.453513 3.336878
C -0.757350 -1.778955 0.328249
C -0.897782 -3.995354 -1.509385
C 5.493710 -2.358654 1.545325
C 6.168177 -3.111975 -0.679782
C -0.059878 -2.979591 0.575225
C -0.119645 -4.073026 -0.335296
H 2.771541 0.452119 -1.685451
H 3.712179 1.427076 -0.530178
H 0.269944 0.451793 -1.528081
H 3.466953 -0.426619 1.195343
H 2.586667 -1.415937 0.004218
H 5.488779 -0.383219 -0.350329
H 4.560643 -1.328778 -1.555673
H 3.612580 2.163406 1.825201
H -1.263862 3.304105 2.598962
H -4.958849 3.107814 -0.416326
H -3.671512 -0.707116 -3.266202
H 2.908540 3.501768 3.831111
H 0.497490 4.042582 4.216077
H -2.726689 -3.058505 -3.565713
H -0.713519 -0.956926 1.047586
H -0.964294 -4.843911 -2.199414
H 6.361710 -1.670442 1.717288
H 5.771530 -3.358926 1.921994
H 4.645028 -1.998923 2.150742
H 7.124225 -2.528778 -0.716399
H 5.815005 -3.254974 -1.716674
H 6.394383 -4.107065 -0.256779
H 0.536353 -3.078124 1.489027
H 0.437706 -4.989974 -0.115385


