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	hartrees
Energy at 0K	-148.426331
Energy at 298.15K	-148.428744
HF Energy	-147.948416
Nuclear repulsion energy	60.337117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3427	21.90
2	A	1307	1222	0.01
3	A	924	864	2.00
4	A	806	754	105.03
5	A	527	493	0.02
6	B	3662	3425	117.44
7	B	2252	2106	726.75
8	B	914	855	456.26
9	B	525	491	93.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.217	-0.081
N3	0.000	-1.217	-0.081
H4	0.637	1.714	0.524
H5	-0.637	-1.714	0.524

	C1	N2	N3	H4	H5
C1		1.2203	1.2203	1.8985	1.8985
N2	1.2203		2.4332	1.0090	3.0596
N3	1.2203	2.4332		3.0596	1.0090
H4	1.8985	1.0090	3.0596		3.6575
H5	1.8985	3.0596	1.0090	3.6575

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.461		C1	N3	H5	116.461
N2	C1	N3	171.136

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3/TZVP

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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