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	hartrees
Energy at 0K	-147.366800
Energy at 298.15K	-147.369116
HF Energy	-147.051212
Nuclear repulsion energy	59.407889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3578	3403	17.15
2	A	1248	1187	0.67
3	A	864	822	26.00
4	A	703	669	140.25
5	A	518	493	1.97
6	B	3580	3406	146.65
7	B	2248	2138	327.67
8	B	844	802	678.63
9	B	523	497	72.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.040
N2	0.000	1.230	-0.080
N3	0.000	-1.230	-0.080
H4	0.579	1.886	0.436
H5	-0.579	-1.886	0.436

	C1	N2	N3	H4	H5
C1		1.2355	1.2355	2.0126	2.0126
N2	1.2355		2.4593	1.0164	3.2110
N3	1.2355	2.4593		3.2110	1.0164
H4	2.0126	1.0164	3.2110		3.9463
H5	2.0126	3.2110	1.0164	3.9463

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.420		C1	N3	H5	126.420
N2	C1	N3	168.883

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2/3-21G*

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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