%chk=000042678.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042678

0 1
 O  -3.2299999E-02   2.356900      0.5357000    
 N   -2.452800      9.3699999E-02  5.5100001E-02
 C  -2.0700000E-02 -7.0000000E-02 -3.2400001E-02
 C    1.295100     -0.1391000     -0.8712000    
 C    2.153000     -0.3189000      0.4069000    
 C   0.2609000       1.054500       1.012200    
 C   2.8200001E-02  -1.397900      0.7779000    
 C    1.772800      0.9066000       1.272000    
 C    1.526800      -1.555900       1.089100    
 C   -1.311100      9.3699999E-02 -0.8140000    
 C    1.406900      -1.305800      -1.871500    
 C    1.626700       1.134700      -1.678000    
 C   -2.552600      -1.164300      0.8134000    
 C   -3.700900      0.3117000     -0.6950000    
 H    3.229400     -0.4134000      0.2453000    
 H  -0.3126000      0.9094000       1.934800    
 H  -0.2878000      -2.280500      0.2150000    
 H  -0.4130000      -1.382600       1.771600    
 H    1.977000      0.7255000       2.333100    
 H    2.337200       1.798200      0.9796000    
 H    1.729300      -1.584400       2.165500    
 H    1.917700      -2.485300      0.6610000    
 H   -1.394700     -0.7019000      -1.566600    
 H   -1.272600       1.036100      -1.374100    
 H    2.431800      -1.386600      -2.251900    
 H    1.147600      -2.282000      -1.456600    
 H   0.7453000      -1.145100      -2.730300    
 H    2.607500       1.031400      -2.158200    
 H   0.8883000       1.294300      -2.471600    
 H    1.676500       2.055000      -1.096400    
 H   0.2449000       2.988300       1.221300    
 H   -3.616100      -1.352300       1.033200    
 H   -2.179600      -1.059200       1.831500    
 H   -2.271300      -2.067200      0.2667000    
 H   -3.649200       1.251500      -1.256300    
 H   -4.552400      0.4059000     -1.1900000E-02
 H   -3.902900     -0.5019000      -1.401100    


%chk=000042678-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042678

0 1
O -0.307291 2.275208 0.243580
N -2.490341 -0.242971 0.121324
C 0.034151 -0.196679 -0.000439
C 1.377625 -0.215417 -0.852077
C 2.287970 -0.152889 0.430806
C 0.211734 1.057050 0.915524
C 0.263124 -1.410662 0.964063
C 1.760459 1.116869 1.161447
C 1.806327 -1.380206 1.260994
C -1.294721 -0.215140 -0.771587
C 1.586072 -1.500509 -1.693547
C 1.563753 0.987927 -1.811465
C -3.155095 -1.555525 0.193602
C -3.438898 0.860856 -0.121048
H 3.374014 -0.134884 0.233079
H -0.362635 0.912481 1.851196
H -0.030984 -2.355599 0.472065
H -0.354396 -1.316051 1.874383
H 2.027037 1.115477 2.234453
H 2.170422 2.036921 0.707627
H 2.026703 -1.250846 2.336305
H 2.301521 -2.312719 0.937263
H -1.306366 -1.091555 -1.459477
H -1.341395 0.691358 -1.402631
H 2.594737 -1.489177 -2.149593
H 1.493018 -2.434102 -1.114511
H 0.853706 -1.545826 -2.521749
H 2.610585 1.025554 -2.171479
H 0.914724 0.873520 -2.700534
H 1.308074 1.951042 -1.345069
H -0.329040 3.007227 0.909549
H -3.939528 -1.534010 0.973087
H -2.426812 -2.337282 0.470148
H -3.639572 -1.864403 -0.769604
H -2.889530 1.816885 -0.094501
H -4.206037 0.874332 0.676421
H -3.972818 0.786843 -1.103803


