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	hartrees
Energy at 0K	-148.454344
Energy at 298.15K	-148.456819
HF Energy	-147.958394
Nuclear repulsion energy	60.628383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3446	32.29
2	A	1328	1224	0.01
3	A	961	886	11.88
4	A	778	717	95.24
5	A	564	520	0.04
6	B	3734	3442	182.70
7	B	2275	2097	846.28
8	B	954	879	474.24
9	B	567	522	97.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.008
N2	0.000	1.210	-0.077
N3	0.000	-1.210	-0.077
H4	0.623	1.728	0.515
H5	-0.623	-1.728	0.515

	C1	N2	N3	H4	H5
C1		1.2133	1.2133	1.9059	1.9059
N2	1.2133		2.4206	1.0034	3.0617
N3	1.2133	2.4206		3.0617	1.0034
H4	1.9059	1.0034	3.0617		3.6744
H5	1.9059	3.0617	1.0034	3.6744

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.287		C1	N3	H5	118.287
N2	C1	N3	172.012

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CISD/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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