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	hartrees
Energy at 0K	-148.374617
Energy at 298.15K	-148.377036
HF Energy	-147.902530
Nuclear repulsion energy	60.019755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3713	3713	20.68
2	A	1312	1312	0.03
3	A	972	972	6.80
4	A	820	820	103.53
5	A	518	518	0.06
6	B	3713	3713	95.10
7	B	2278	2278	600.04
8	B	968	968	479.07
9	B	520	520	81.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.014
N2	0.000	1.224	-0.080
N3	0.000	-1.224	-0.080
H4	0.635	1.728	0.519
H5	-0.635	-1.728	0.519

	C1	N2	N3	H4	H5
C1		1.2276	1.2276	1.9094	1.9094
N2	1.2276		2.4480	1.0088	3.0789
N3	1.2276	2.4480		3.0789	1.0088
H4	1.9094	1.0088	3.0789		3.6829
H5	1.9094	3.0789	1.0088	3.6829

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.912		C1	N3	H5	116.912
N2	C1	N3	171.143

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3=FULL/6-31G**

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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