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	hartrees
Energy at 0K	-148.517296
Energy at 298.15K	-148.519727
HF Energy	-147.957009
Nuclear repulsion energy	60.140168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3474	26.00
2	A	1274	1215	0.00
3	A	952	908	8.27
4	A	764	728	88.27
5	A	541	516	0.04
6	B	3641	3473	137.66
7	B	2207	2105	698.60
8	B	945	901	460.40
9	B	544	519	80.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.015
N2	0.000	1.220	-0.080
N3	0.000	-1.220	-0.080
H4	0.629	1.738	0.517
H5	-0.629	-1.738	0.517

	C1	N2	N3	H4	H5
C1		1.2239	1.2239	1.9151	1.9151
N2	1.2239		2.4404	1.0101	3.0826
N3	1.2239	2.4404		3.0826	1.0101
H4	1.9151	1.0101	3.0826		3.6966
H5	1.9151	3.0826	1.0101	3.6966

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.694		C1	N3	H5	117.694
N2	C1	N3	171.037

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD/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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