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	hartrees
Energy at 0K	-148.511430
Energy at 298.15K	-148.513876
HF Energy	-147.957682
Nuclear repulsion energy	60.345928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3672	3672	27.80
2	A	1303	1303	0.00
3	A	952	952	8.63
4	A	780	780	89.15
5	A	546	546	0.04
6	B	3669	3669	155.05
7	B	2240	2240	782.08
8	B	945	945	462.39
9	B	549	549	86.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.013
N2	0.000	1.216	-0.080
N3	0.000	-1.216	-0.080
H4	0.628	1.731	0.519
H5	-0.628	-1.731	0.519

	C1	N2	N3	H4	H5
C1		1.2193	1.2193	1.9094	1.9094
N2	1.2193		2.4317	1.0084	3.0716
N3	1.2193	2.4317		3.0716	1.0084
H4	1.9094	1.0084	3.0716		3.6823
H5	1.9094	3.0716	1.0084	3.6823

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.669		C1	N3	H5	117.669
N2	C1	N3	171.319

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3/6-311+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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