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Computed charges for NF2 (Difluoroamino radical)

mPW1PW91/3-21G

  Charge (e)
Number Element Mulliken chelpg AIM ESP
1 C -0.620      
2 C -0.450      
3 C -0.370      
4 O -0.501      
5 C -0.138      
6 C -0.443      
7 H 0.228      
8 H 0.212      
9 H 0.213      
10 H 0.213      
11 H 0.214      
12 H 0.214      
13 H 0.193      
14 H 0.193      
15 H 0.229      
16 H 0.229      
17 H 0.192      
18 H 0.192      
The AIM methods may assign some charges to non-nuclear centers, typically at the center of triple bonds. Extra charges listed in the AIM column represent the charge at these non-nuclear centers.

picture of Difluoroamino radical
Mulliken Spin Densities
Number Element Spin Density