%chk=000212697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212697

0 1
O 1.007550 -5.310494 -0.541447
O -1.867812 -1.401090 0.643418
N 1.300169 -2.684235 0.509596
N -1.561616 0.892334 0.243959
N -0.495731 1.749476 -0.012116
C 2.496895 -3.526370 0.213415
C 0.111524 -3.503115 0.847685
C 2.155001 -4.526614 -0.907920
C -0.165883 -4.508500 -0.278425
C 1.327897 -1.365054 0.193516
C 0.342520 -0.407284 0.221716
C 0.617808 1.024291 -0.026345
C -1.109587 -0.475948 0.412158
C 1.947805 1.604139 -0.261610
C -2.893216 1.422143 0.330333
C 2.225999 2.253972 -1.473867
C 2.937729 1.507562 0.729731
C -3.969429 0.548163 0.572080
C -3.118625 2.804454 0.171930
C 3.497177 2.790339 -1.696803
C 4.204681 2.048377 0.498849
C -5.263085 1.065940 0.652561
C -4.420040 3.297566 0.256238
C 4.487027 2.685614 -0.714422
C -5.495886 2.435333 0.495822
H 2.768922 -4.080186 1.143991
H 3.375435 -2.906891 -0.061814
H -0.796927 -2.865721 1.032823
H 0.316879 -4.034834 1.805359
H 1.963191 -4.020767 -1.870643
H 2.940903 -5.294649 -1.032199
H -0.909501 -5.271144 0.019162
H -0.487402 -4.013607 -1.211556
H 2.341794 -0.990146 -0.087423
H 1.446220 2.346586 -2.230737
H 2.707496 1.032535 1.682586
H -3.799238 -0.525135 0.697335
H -2.283857 3.481778 -0.013569
H 3.713581 3.296911 -2.636527
H 4.971362 1.981856 1.269195
H -6.097186 0.390564 0.839958
H -4.597347 4.365474 0.134415
H 5.475102 3.107581 -0.890273
H -6.506598 2.828998 0.560067


%chk=000212697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212697

0 1
O 1.034552 -5.558389 -0.316597
O -1.909755 -1.470595 0.701108
N 1.291493 -2.768301 0.400190
N -1.555632 0.854613 0.237798
N -0.474526 1.737388 -0.024188
C 2.489582 -3.597584 0.102985
C 0.159984 -3.576280 0.930493
C 2.108838 -4.730640 -0.875801
C -0.155477 -4.726005 -0.045643
C 1.311852 -1.428922 0.176252
C 0.338058 -0.424655 0.274920
C 0.638668 0.984079 0.002093
C -1.131579 -0.484490 0.451589
C 1.951521 1.626206 -0.226424
C -2.877251 1.396803 0.277306
C 2.068440 2.656475 -1.200289
C 3.102353 1.270776 0.531519
C -4.003732 0.570461 0.536631
C -3.053192 2.787602 0.048080
C 3.303530 3.299242 -1.421956
C 4.339393 1.913406 0.304658
C -5.292020 1.146870 0.561956
C -4.348197 3.342513 0.077877
C 4.447417 2.925714 -0.676324
C -5.477304 2.529352 0.334073
H 2.854495 -4.045496 1.048164
H 3.287319 -2.967073 -0.326795
H -0.730938 -2.933146 1.056112
H 0.474123 -3.994958 1.907099
H 1.794428 -4.296162 -1.849657
H 2.962074 -5.410181 -1.034871
H -0.898232 -5.409413 0.394548
H -0.551788 -4.313679 -0.997293
H 2.296447 -1.075462 -0.158892
H 1.179400 2.939327 -1.773026
H 3.016553 0.533589 1.338113
H -3.858975 -0.496923 0.712260
H -2.174697 3.406704 -0.145257
H 3.376594 4.089676 -2.177236
H 5.213075 1.636973 0.905680
H -6.156533 0.503753 0.762751
H -4.474133 4.416773 -0.099056
H 5.407226 3.424269 -0.851125
H -6.481750 2.965993 0.356377


