%chk=000217666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217666

0 1
O -3.482714 0.335880 -2.231415
O 3.362867 -2.931243 -0.155552
N -3.889623 -0.088919 -0.038534
N 1.387486 -1.877062 -0.432025
C -4.802794 -0.318506 2.183815
C -5.953316 -0.020098 1.202580
C -3.489922 -0.159706 1.393997
C -5.369308 -0.161669 -0.212478
C -3.045625 0.202129 -1.098657
C -1.579617 0.306289 -0.762678
C 1.167872 0.549300 -0.195598
C 0.586958 -0.718048 -0.458937
C -0.795727 -0.837542 -0.740564
C 2.599408 0.639264 0.097431
C -1.024206 1.574024 -0.510188
C 0.331776 1.684797 -0.234103
C 3.378298 -0.536982 0.119935
C 2.784334 -1.859872 -0.151224
C 3.234428 1.872637 0.361776
C 4.758279 -0.477101 0.400444
C 4.595898 1.921855 0.637370
C 5.364844 0.745354 0.658614
H -4.832405 0.361303 3.051679
H -4.892886 -1.343750 2.585517
H -6.800879 -0.708618 1.357108
H -6.345762 1.000236 1.362809
H -2.942832 0.760940 1.688347
H -2.806395 -1.020328 1.551894
H -5.634109 -1.135271 -0.678174
H -5.714816 0.635776 -0.904801
H -1.233784 -1.812166 -0.953406
H -1.655545 2.461019 -0.550470
H 0.764855 2.670496 -0.044349
H 0.959397 -2.783627 -0.641385
H 2.651161 2.793506 0.346502
H 5.336022 -1.407258 0.409500
H 5.075886 2.880718 0.838818
H 6.430597 0.796445 0.875398


%chk=000217666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217666

0 1
O -3.531110 1.264980 -1.857301
O 3.151666 -2.924532 0.565322
N -3.928997 -0.083522 -0.005388
N 1.238177 -1.683478 0.138862
C -4.987333 -1.049682 1.915742
C -6.021900 -0.191803 1.143984
C -3.620379 -0.554521 1.380667
C -5.398847 -0.069862 -0.263501
C -3.085038 0.624222 -0.846694
C -1.604454 0.630747 -0.550361
C 1.239379 0.741219 -0.187677
C 0.528826 -0.497770 -0.110805
C -0.877724 -0.546095 -0.283700
C 2.698242 0.732726 0.012379
C -0.905649 1.864566 -0.664421
C 0.482413 1.912274 -0.472443
C 3.367867 -0.507891 0.269883
C 2.623407 -1.791080 0.340085
C 3.490171 1.916739 -0.039643
C 4.771920 -0.549186 0.465032
C 4.881062 1.867144 0.154434
C 5.531506 0.630383 0.408417
H -5.062434 -0.940846 3.010679
H -5.124279 -2.118815 1.669154
H -7.024247 -0.650811 1.119910
H -6.112748 0.808165 1.606895
H -3.224931 0.283499 1.987542
H -2.866524 -1.358542 1.387432
H -5.675480 -0.926638 -0.908499
H -5.665069 0.854924 -0.801340
H -1.388250 -1.515773 -0.249530
H -1.469110 2.765526 -0.923384
H 0.990256 2.877694 -0.556724
H 0.727199 -2.570401 0.182657
H 3.017653 2.884365 -0.232906
H 5.230130 -1.524732 0.657458
H 5.467038 2.791780 0.108678
H 6.615693 0.599229 0.558103


