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	hartrees
Energy at 0K	-148.524910
Energy at 298.15K	-148.527355
HF Energy	-147.961013
Nuclear repulsion energy	60.307367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3652	3652	25.53
2	A	1299	1299	0.00
3	A	963	963	8.48
4	A	780	780	86.44
5	A	548	548	0.05
6	B	3649	3649	153.19
7	B	2231	2231	774.21
8	B	954	954	458.32
9	B	549	549	82.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.013
N2	0.000	1.217	-0.080
N3	0.000	-1.217	-0.080
H4	0.630	1.726	0.520
H5	-0.630	-1.726	0.520

	C1	N2	N3	H4	H5
C1		1.2205	1.2205	1.9067	1.9067
N2	1.2205		2.4340	1.0084	3.0694
N3	1.2205	2.4340		3.0694	1.0084
H4	1.9067	1.0084	3.0694		3.6760
H5	1.9067	3.0694	1.0084	3.6760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.301		C1	N3	H5	117.301
N2	C1	N3	171.304

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3/daug-cc-pVTZ

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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