%chk=000036340.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036340

0 1
 O    4.726400      -1.515400       1.343300    
 N    3.517900      -1.372200     -0.6317000    
 C   -3.193100     -0.9607000      0.2643000    
 C   -1.835000     -0.9522000     -0.4435000    
 C   -4.251600     -0.1062000     -0.4386000    
 C  -0.7988000      -1.863900      0.2175000    
 C   -5.604000     -0.2105000      0.2717000    
 C   0.5461000      -1.792800     -0.5108000    
 C   -6.699000      0.6424000     -0.3754000    
 C   -8.030800      0.5961000      0.3769000    
 C    1.592300      -2.681900      0.1678000    
 C   -9.063600       1.520200     -0.2699000    
 C    2.928300      -2.680700     -0.5677000    
 C   -10.37790       1.508700      0.4943000    
 C    4.382300     -0.8890000      0.3444000    
 C    4.886300      0.4942000      0.1458000    
 C    5.261900       1.264500       1.246600    
 C    4.984700       1.022900      -1.141300    
 C    5.735400       2.563200       1.060300    
 C    5.458400       2.321600      -1.327500    
 C    5.833800       3.091700     -0.2266000    
 H   -3.552000      -1.995600      0.3282000    
 H   -3.064200     -0.6065000       1.294500    
 H   -1.453700      7.6200001E-02 -0.4679000    
 H   -1.972300      -1.263500      -1.486600    
 H   -3.923200      0.9397000     -0.4603000    
 H   -4.360000     -0.4343000      -1.479200    
 H   -1.165800      -2.897200      0.2178000    
 H  -0.6667000      -1.566200       1.264700    
 H   -5.483600      9.7700000E-02   1.317800    
 H   -5.929000      -1.258200      0.2860000    
 H   0.8917000     -0.7524000     -0.5268000    
 H   0.4158000      -2.107900      -1.553200    
 H   -6.852600      0.3077000      -1.408800    
 H   -6.352400       1.682100     -0.4280000    
 H   -8.409100     -0.4330000      0.3913000    
 H   -7.871700      0.8971000       1.419500    
 H    1.219500      -3.712000      0.2169000    
 H    1.739900      -2.343800       1.201000    
 H   -8.678000       2.545900     -0.3025000    
 H   -9.244900       1.208500      -1.305100    
 H    2.797500      -3.030400      -1.597300    
 H    3.623100      -3.364500     -6.7900002E-02
 H   -11.10170       2.174400      1.3800000E-02
 H   -10.23550       1.848900       1.525000    
 H   -10.80720      0.5021000      0.5207000    
 H    3.224700     -0.7787000      -1.400100    
 H    5.188500      0.8724000       2.257500    
 H    4.733100      0.4474000      -2.027000    
 H    6.027100       3.163200       1.917300    
 H    5.542000       2.731300      -2.329900    
 H    6.204000       4.102400     -0.3719000    


%chk=000036340-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036340

0 1
O 4.790324 -1.574204 1.327028
N 3.611649 -1.309064 -0.659203
C -3.277273 -0.986919 0.247140
C -1.944551 -1.014423 -0.534813
C -4.400342 -0.210154 -0.476140
C -0.832817 -1.809078 0.186586
C -5.720407 -0.158863 0.325960
C 0.515676 -1.807287 -0.568509
C -6.851728 0.604825 -0.398626
C -8.163722 0.671544 0.415606
C 1.610629 -2.620559 0.156682
C -9.299539 1.427495 -0.311027
C 2.975335 -2.636137 -0.573212
C -10.602430 1.497107 0.514966
C 4.492972 -0.862256 0.313991
C 5.077068 0.516365 0.114773
C 5.621851 1.162438 1.253755
C 5.130191 1.172455 -1.143416
C 6.186308 2.450131 1.144682
C 5.699869 2.460331 -1.253650
C 6.223305 3.105395 -0.109162
H -3.614369 -2.028207 0.433651
H -3.103829 -0.534022 1.245843
H -1.599572 0.027079 -0.705488
H -2.117628 -1.453389 -1.539925
H -4.056599 0.825515 -0.681272
H -4.590560 -0.675866 -1.465931
H -1.168496 -2.856955 0.334062
H -0.679943 -1.387107 1.201722
H -5.530191 0.316836 1.310959
H -6.058069 -1.194257 0.542172
H 0.852621 -0.757048 -0.695159
H 0.364023 -2.217834 -1.589879
H -7.052594 0.121063 -1.377631
H -6.510021 1.636424 -0.626661
H -8.503206 -0.359247 0.650481
H -7.964754 1.162039 1.391626
H 1.272058 -3.670776 0.270656
H 1.764822 -2.224037 1.178684
H -8.956982 2.454915 -0.551159
H -9.502452 0.932891 -1.283026
H 2.854698 -3.031986 -1.600450
H 3.677302 -3.289229 -0.026732
H -11.399314 2.038892 -0.027234
H -10.433899 2.017248 1.476909
H -10.979549 0.482591 0.745282
H 3.303227 -0.665451 -1.387742
H 5.596135 0.627091 2.208552
H 4.768817 0.675507 -2.052227
H 6.599317 2.941880 2.032263
H 5.745315 2.954549 -2.230420
H 6.664624 4.104547 -0.195936


