Example of faulty prediction by PM6:
PM6
Example of fault in PM6: R-NH2 forms a stable bond with C of R-COO-R
O -0.000010 1 0.000000 1 0.000000 1
H -0.006153 1 1.804509 1 -1.216513 1
C 0.793349 1 1.012586 1 0.684446 1
N 0.710944 1 2.139930 1 -0.545848 1
H 1.619552 1 2.179397 1 -1.067715 1
N -2.484458 1 1.875941 1 0.909176 1
C -2.361612 1 0.654350 1 0.060221 1
C -3.711812 1 -0.060338 1 -0.054450 1
H -2.048603 1 1.013520 1 -0.957498 1
C -1.280712 1 -0.332011 1 0.568108 1
H -1.200806 1 -0.339978 1 1.669924 1
H -1.435439 1 -1.358306 1 0.191631 1
C 4.701728 1 3.362572 1 1.187370 1
C 3.766061 1 2.438758 1 0.464656 1
O 3.521743 1 2.532885 1 -0.737926 1
N 3.183018 1 1.440377 1 1.233278 1
C 2.256960 1 0.441744 1 0.647675 1
O 0.318534 1 1.505194 1 1.728532 1
C 2.286931 1 -0.860486 1 1.468735 1
C 3.618933 1 -1.590847 1 1.357470 1
H 3.611939 1 -2.512902 1 1.950690 1
H 3.840894 1 -1.871443 1 0.320439 1
H 2.563594 1 0.227787 1 -0.410142 1
H 1.462769 1 -1.513616 1 1.101569 1
H 2.041218 1 -0.649642 1 2.529465 1
H 3.239406 1 1.447145 1 2.249422 1
C 0.353784 1 3.528580 1 -0.051939 1
C 0.976159 1 4.597365 1 -0.934823 1
H -0.755833 1 3.628820 1 -0.007715 1
H 0.703729 1 3.615365 1 1.007640 1
H -1.578635 1 2.088017 1 1.356355 1
H -3.139763 1 1.725557 1 1.671193 1
H -3.683271 1 -0.851277 1 -0.811530 1
H -4.499197 1 0.645783 1 -0.352443 1
H -4.024534 1 -0.514870 1 0.891475 1
H 5.512336 1 2.826231 1 1.699090 1
H 4.182559 1 3.978281 1 1.934734 1
H 5.176497 1 4.054209 1 0.471391 1
H 4.454537 1 -0.976932 1 1.712448 1
H 2.065177 1 4.459131 1 -1.044524 1
H 0.545532 1 4.613573 1 -1.943006 1
H 0.821353 1 5.595662 1 -0.505018 1