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	hartrees
Energy at 0K	-148.434160
Energy at 298.15K	-148.436561
HF Energy	-147.947825
Nuclear repulsion energy	60.148000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3461	20.34
2	A	1282	1223	0.00
3	A	920	878	2.11
4	A	795	759	103.88
5	A	524	500	0.00
6	B	3626	3461	107.26
7	B	2223	2121	669.12
8	B	911	869	459.72
9	B	522	498	88.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.015
N2	0.000	1.220	-0.081
N3	0.000	-1.220	-0.081
H4	0.638	1.723	0.521
H5	-0.638	-1.723	0.521

	C1	N2	N3	H4	H5
C1		1.2242	1.2242	1.9061	1.9061
N2	1.2242		2.4408	1.0113	3.0718
N3	1.2242	2.4408		3.0718	1.0113
H4	1.9061	1.0113	3.0718		3.6753
H5	1.9061	3.0718	1.0113	3.6753

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.688		C1	N3	H5	116.688
N2	C1	N3	170.993

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD/TZVP

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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