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	hartrees
Energy at 0K	-148.673758
Energy at 298.15K
HF Energy	-148.510777
Nuclear repulsion energy	59.674730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3597	3597	22.91
2	A	1257	1257	0.01
3	A	942	942	9.81
4	A	725	725	86.04
5	A	530	530	0.20
6	B	3596	3596	137.70
7	B	2188	2188	624.53
8	B	938	938	433.18
9	B	534	534	68.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.024
N2	0.000	1.229	-0.084
N3	0.000	-1.229	-0.084
H4	0.627	1.762	0.513
H5	-0.627	-1.762	0.513

	C1	N2	N3	H4	H5
C1		1.2338	1.2338	1.9328	1.9328
N2	1.2338		2.4582	1.0159	3.1135
N3	1.2338	2.4582		3.1135	1.0159
H4	1.9328	1.0159	3.1135		3.7399
H5	1.9328	3.1135	1.0159	3.7399

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.112		C1	N3	H5	118.112
N2	C1	N3	169.996

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

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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