
Tell me about the atomic charges, dipole moment,
bond lengths,
angles,
bond orders,
molecular orbital energies,
or total energy.
Tell me about the best Lewis structure.
The Lewis structure is built for the up and down electrons,
separately. Note that the up and down structures can be very
different.
1. A bonding orbital for N1N2 with 0.9991 electrons
__has 55.01% N 1 character in a sp1.26 hybrid
__has 44.99% N 2 character in a sp2.93 hybrid
2. A bonding orbital for N1C3 with 0.9984 electrons
__has 68.91% N 1 character in a sp0.79 hybrid
__has 31.09% C 3 character in a s0.83 p3 hybrid
3. A bonding orbital for N1C3 with 0.9972 electrons
__has 50.96% N 1 character in a ppi orbital ( 99.80% p 0.20% d)
__has 49.04% C 3 character in a ppi orbital ( 99.44% p 0.56% d)
4. A bonding orbital for N1C3 with 0.9972 electrons
__has 50.96% N 1 character in a ppi orbital ( 99.80% p 0.20% d)
__has 49.04% C 3 character in a ppi orbital ( 99.44% p 0.56% d)
8. A lone pair orbital for N2 with 0.9917 electrons
__made from a sp0.32 hybrid
9. A lone pair orbital for N2 with 0.8901 electrons
__made from a ppi orbital ( 99.83% p 0.17% d)
10. A lone pair orbital for N2 with 0.8901 electrons
__made from a ppi orbital ( 99.83% p 0.17% d)
11. A lone pair orbital for C3 with 0.9883 electrons
__made from a sp0.26 hybrid
71. A antibonding orbital for N1C3 with 0.1056 electrons
__has 49.04% N 1 character in a ppi orbital ( 99.80% p 0.20% d)
__has 50.96% C 3 character in a ppi orbital ( 99.44% p 0.56% d)
72. A antibonding orbital for N1C3 with 0.1056 electrons
__has 49.04% N 1 character in a ppi orbital ( 99.80% p 0.20% d)
__has 50.96% C 3 character in a ppi orbital ( 99.44% p 0.56% d)
With core pairs on: N 1 N 2 C 3 
1. A bonding orbital for N1N2 with 0.9989 electrons
__has 61.95% N 1 character in a sp1.26 hybrid
__has 38.05% N 2 character in a sp2.23 hybrid
2. A bonding orbital for N1N2 with 0.9513 electrons
__has 87.93% N 1 character in a ppi orbital ( 99.98% p)
__has 12.07% N 2 character in a ppi orbital ( 99.30% p 0.70% d)
3. A bonding orbital for N1N2 with 0.9513 electrons
__has 87.93% N 1 character in a ppi orbital ( 99.98% p)
__has 12.07% N 2 character in a ppi orbital ( 99.30% p 0.70% d)
4. A bonding orbital for N1C3 with 0.9983 electrons
__has 73.05% N 1 character in a sp0.79 hybrid
__has 26.95% C 3 character in a sp2.83 hybrid
8. A lone pair orbital for N2 with 0.9899 electrons
__made from a sp0.43 hybrid
9. A lone pair orbital for C3 with 0.9903 electrons
__made from a sp0.34 hybrid
With core pairs on: N 1 N 2 C 3 
The interaction of the second bonding donor orbital, 2, for N1N2 with the second lone pair acceptor orbital, 10, for C3 is 120. kJ/mol.
The interaction of the third bonding donor orbital, 3, for N1N2 with the third lone pair acceptor orbital, 11, for C3 is 120. kJ/mol.
The interaction of lone pair donor orbital, 8, for N2 with the antibonding acceptor orbital, 72, for N1C3 is 32.8 kJ/mol.
The interaction of lone pair donor orbital, 9, for C3 with the antibonding acceptor orbital, 69, for N1N2 is 36.6 kJ/mol.
The interaction of the second lone pair donor orbital, 10, for C3 with the second antibonding acceptor orbital, 70, for N1N2 is 42.9 kJ/mol.
The interaction of the third lone pair donor orbital, 11, for C3 with the third antibonding acceptor orbital, 71, for N1N2 is 42.9 kJ/mol.
15  3.780
14  2.557
13  1.783 12  1.784
11 ^ 7.404 10 ^ 7.405
9 ^v 9.032
8 ^v 12.66
7 ^v 13.00 6 ^v 13.00
5 ^v 22.62
4 ^v 28.38
3 ^v 269.6
2 ^v 381.1
1 ^v 381.3
Total electronic energy = 147.4958490471 Hartrees