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	hartrees
Energy at 0K	-148.509409
Energy at 298.15K	-148.511863
HF Energy	-147.957590
Nuclear repulsion energy	60.277565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3398	25.25
2	A	1291	1206	0.00
3	A	967	903	7.13
4	A	793	740	88.45
5	A	543	507	0.00
6	B	3638	3397	129.84
7	B	2241	2092	675.55
8	B	960	896	451.23
9	B	544	508	85.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.218	-0.079
N3	0.000	-1.218	-0.079
H4	0.635	1.717	0.526
H5	-0.635	-1.717	0.526

	C1	N2	N3	H4	H5
C1		1.2215	1.2215	1.9019	1.9019
N2	1.2215		2.4365	1.0090	3.0632
N3	1.2215	2.4365		3.0632	1.0090
H4	1.9019	1.0090	3.0632		3.6608
H5	1.9019	3.0632	1.0090	3.6608

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.685		C1	N3	H5	116.685
N2	C1	N3	171.666

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCD/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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