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	hartrees
Energy at 0K	-148.130194
Energy at 298.15K	-148.132485
HF Energy	-147.811071
Nuclear repulsion energy	59.224795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3477	9.09
2	A	1265	1214	0.03
3	A	866	831	10.45
4	A	795	763	161.24
5	A	493	473	1.04
6	B	3627	3480	121.41
7	B	2221	2131	535.80
8	B	864	829	750.19
9	B	458	440	60.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.048
N2	0.000	1.234	-0.083
N3	0.000	-1.234	-0.083
H4	0.584	1.881	0.438
H5	-0.584	-1.881	0.438

	C1	N2	N3	H4	H5
C1		1.2410	1.2410	2.0078	2.0078
N2	1.2410		2.4681	1.0152	3.2119
N3	1.2410	2.4681		3.2119	1.0152
H4	2.0078	1.0152	3.2119		3.9392
H5	2.0078	3.2119	1.0152	3.9392

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.414		C1	N3	H5	125.414
N2	C1	N3	167.853

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCD/6-31G

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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