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	hartrees
Energy at 0K	-148.414419
Energy at 298.15K	-148.416791
HF Energy	-147.936046
Nuclear repulsion energy	59.811399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3456	28.32
2	A	1254	1191	0.00
3	A	910	865	4.67
4	A	746	709	97.20
5	A	518	492	0.24
6	B	3637	3456	128.56
7	B	2224	2113	486.12
8	B	898	853	446.97
9	B	523	497	96.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.025
N2	0.000	1.227	-0.084
N3	0.000	-1.227	-0.084
H4	0.635	1.740	0.516
H5	-0.635	-1.740	0.516

	C1	N2	N3	H4	H5
C1		1.2319	1.2319	1.9166	1.9166
N2	1.2319		2.4542	1.0132	3.0933
N3	1.2319	2.4542		3.0933	1.0132
H4	1.9166	1.0132	3.0933		3.7050
H5	1.9166	3.0933	1.0132	3.7050

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.890		C1	N3	H5	116.890
N2	C1	N3	169.873

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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