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	hartrees
Energy at 0K	-148.578266
Energy at 298.15K	-148.580644
HF Energy	-147.956655
Nuclear repulsion energy	60.126333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3661	3452	32.71
2	A	1272	1199	0.01
3	A	881	831	11.31
4	A	706	666	93.54
5	A	542	511	0.86
6	B	3661	3451	198.07
7	B	2233	2105	656.88
8	B	873	823	476.96
9	B	549	517	102.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.024
N2	0.000	1.219	-0.081
N3	0.000	-1.219	-0.081
H4	0.612	1.776	0.496
H5	-0.612	-1.776	0.496

	C1	N2	N3	H4	H5
C1		1.2232	1.2232	1.9363	1.9363
N2	1.2232		2.4372	1.0088	3.1101
N3	1.2232	2.4372		3.1101	1.0088
H4	1.9363	1.0088	3.1101		3.7561
H5	1.9363	3.1101	1.0088	3.7561

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	120.038		C1	N3	H5	120.038
N2	C1	N3	170.077

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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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