%chk=000229640.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229640

0 1
O -2.719865 0.557832 0.000732
O 2.613385 0.857181 -0.174142
O -1.858390 -2.401589 -0.930910
O -1.189484 0.996574 1.607903
O 4.490035 -0.408642 -0.143314
N -0.705508 -1.685079 0.915160
C 0.579129 -2.294259 0.496392
C 1.481655 -1.295923 -0.241244
C -2.972925 -0.789066 0.525149
C 1.902451 -0.124292 0.639938
C -1.803719 -1.694646 0.057370
C -4.282400 -1.186089 -0.120053
C -1.812947 1.370515 0.636030
C 3.926188 0.595767 -0.506748
C -1.756844 2.679635 -0.062493
C 4.447335 1.721275 -1.330263
H 1.085120 -2.693548 1.403508
H 0.366794 -3.165785 -0.171521
H 0.971960 -0.918975 -1.152144
H 2.388060 -1.824425 -0.610206
H -3.038966 -0.724706 1.633949
H -0.640535 -0.977709 1.657834
H 2.552763 -0.433377 1.476388
H 1.051193 0.482415 1.008848
H -5.029849 -0.386735 -0.034324
H -4.149241 -1.396571 -1.195935
H -4.692010 -2.097227 0.334801
H -2.459252 2.737557 -0.911344
H -0.743125 2.867341 -0.456870
H -1.992191 3.505600 0.628438
H 5.331606 2.174414 -0.854415
H 3.700087 2.515957 -1.480965
H 4.763189 1.362981 -2.323047


%chk=000229640-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229640

0 1
O -2.903360 0.593756 -0.017992
O 2.803902 0.850286 -0.448259
O -1.822170 -2.405947 -1.021333
O -1.508898 1.078148 1.788881
O 4.706481 -0.363930 0.149922
N -0.712567 -1.510016 0.830442
C 0.575290 -2.163390 0.540784
C 1.530983 -1.287173 -0.307449
C -3.050272 -0.840734 0.451784
C 1.981055 -0.023830 0.440655
C -1.805403 -1.657381 0.001369
C -4.337888 -1.356122 -0.173594
C -2.134414 1.451571 0.759404
C 4.172660 0.558219 -0.509062
C -2.144309 2.859165 0.211427
C 4.885349 1.502062 -1.453217
H 1.053463 -2.439068 1.499727
H 0.353580 -3.090619 -0.014388
H 1.023841 -1.006965 -1.248409
H 2.420668 -1.889775 -0.568231
H -3.097478 -0.808773 1.556916
H -0.777693 -0.797520 1.569864
H 2.579304 -0.283969 1.333481
H 1.130438 0.617304 0.724510
H -5.183517 -0.698886 0.089522
H -4.234041 -1.411086 -1.268623
H -4.547777 -2.375419 0.194595
H -2.797253 2.940878 -0.668725
H -1.115419 3.152241 -0.062129
H -2.483985 3.554635 0.998111
H 5.699207 2.015135 -0.912396
H 4.193079 2.243253 -1.877146
H 5.350840 0.920352 -2.267940


