Friends, I got some NBO data. Please help me to comprehend these data serially.
Partha
Threshold for printing: 0.50 kcal/mol
Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u.
Reactant
44. LP*( 1) C 2 / 43. LP ( 1) C 1 1350.93 0.02 0.145
Reactant intermediate (RI
2. BD ( 2) C 1 - C 2 / 45. LP*( 1) C 3 50.97 0.15 0.094
2. BD ( 2) C 1 - C 2 / 47. LP ( 2) N 6 132.86 0.04 0.087
10. BD ( 2) C 4 - C 5 / 45. LP*( 1) C 3 59.82 0.14 0.096
10. BD ( 2) C 4 - C 5 / 47. LP ( 2) N 6 216.48 0.02 0.088
45. LP*( 1) C 3 /193. BD*( 2) C 1 - C 2 60.06 0.14 0.103
45. LP*( 1) C 3 /201. BD*( 2) C 4 - C 5 53.93 0.15 0.102
47. LP ( 2) N 6 /193. BD*( 2) C1 - C2 45.62 0.25 0.107
47. LP ( 2) N 6 /201. BD*( 2) C4 - C5 43.98 0.26 0.108
48. LP ( 1) N 8 / 54. LP*( 6)Pt 17 47.67 0.60 0.158
48. LP ( 1) N 8 / 55. LP*( 7)Pt 17 11.42 0.61 0.078
48. LP ( 1) N 8 /210. BD*( 1)Pt17 -Cl 18 42.18 0.40 0.117
53. LP*( 5)Pt 17 /210. BD*( 1)Pt 17 -Cl 18 216.42 0.06 0.159
210. BD*( 1)Pt 17 -Cl 18 / 54. LP*( 6)Pt 17 19.58 0.21 0.113
63. LP ( 4)Cl 19 / 54. LP*( 6)Pt 17 23.91 0.54 0.106
63. LP ( 4)Cl 19 / 55. LP*( 7)Pt 17 15.62 0.55 0.087