Atom 1 | Atom 2 | HF | B3LYP | B3PW91 | X-ray |
N1 | C13 | 1.137 | 1.164 | 1.164 | 1.144(3) |
N2 | C10 | 1.410 | 1.384 | 1.377 | 1.372(3) |
N2 | C14 | 1.453 | 1.453 | 1.446 | 1.435(3) |
N2 | C15 | 1.445 | 1.453 | 1.447 | 1.436(4) |
C1 | C2 | 1.381 | 1.388 | 1.386 | 1.377(3) |
C1 | C6 | 1.394 | 1.409 | 1.406 | 1.397(4) |
C1 | H1 | 1.075 | 1.085 | 1.086 | 1.010(4) |
C2 | C3 | 1.390 | 1.405 | 1.403 | 1.384(4) |
C2 | H2 | 1.075 | 1.085 | 1.085 | 1.000 (4) |
C3 | C4 | 1.390 | 1.405 | 1.403 | 1.391(4) |
C3 | C13 | 1.444 | 1.432 | 1.430 | 1.438(3) |
C4 | C5 | 1.381 | 1.388 | 1.386 | 1.374(3) |
C4 | H5 | 1.075 | 1.085 | 1.085 | 1.010(3) |
C5 | C6 | 1.394 | 1.409 | 1.406 | 1.401(3) |
C5 | H5 | 1.075 | 1.085 | 1.086 | 1.000(4) |
C6 | C7 | 1.488 | 1.478 | 1.474 | 1.468(3) |
C7 | C8 | 1.395 | 1.405 | 1.403 | 1.393(4) |
C7 | C12 | 1.386 | 1.405 | 1.403 | 1.393(3) |
C8 | C9 | 1.377 | 1.388 | 1.386 | 1.382(3) |
C8 | H8 | 1.076 | 1.086 | 1.087 | 0.930(3) |
C9 | C10 | 1.398 | 1.415 | 1.413 | 1.397(3) |
C9 | H9 | 1.074 | 1.083 | 1.084 | 0.980(4) |
C10 | C11 | 1.391 | 1.415 | 1.413 | 1.394(4) |
C11 | C12 | 1.387 | 1.388 | 1.386 | 1.382(3) |
C11 | H11 | 1.073 | 1.083 | 1.084 | 1.050(3) |
C12 | H12 | 1.076 | 1.086 | 1.087 | 0.970(4) |
C14 | H14A | 1.080 | 1.096 | 1.097 | 0.920(4) |
C14 | H14B | 1.092 | 1.101 | 1.100 | 1.010(4) |
C14 | H14C | 1.084 | 1.091 | 1.091 | 0.970(3) |
C15 | H15A | 1.093 | 1.091 | 1.091 | 1.050(4) |
C15 | H15B | 1.083 | 1.096 | 1.097 | 0.900(4) |
C15 | H15C | 1.084 | 1.100 | 1.100 | 1.050(3) |