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	hartrees
Energy at 0K	-148.433239
Energy at 298.15K	-148.435638
HF Energy	-147.922828
Nuclear repulsion energy	59.176093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3552	3552
2	A	1221	1221
3	A	972	972
4	A	758	758
5	A	512	512
6	B	3552	3552
7	B	2131	2131
8	B	965	965
9	B	516	516

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.025
N2	0.000	1.241	-0.086
N3	0.000	-1.241	-0.086
H4	0.643	1.744	0.528
H5	-0.643	-1.744	0.528

	C1	N2	N3	H4	H5
C1		1.2463	1.2463	1.9260	1.9260
N2	1.2463		2.4826	1.0221	3.1154
N3	1.2463	2.4826		3.1154	1.0221
H4	1.9260	1.0221	3.1154		3.7184
H5	1.9260	3.1154	1.0221	3.7184

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.867		C1	N3	H5	115.867
N2	C1	N3	169.717

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: QCISD(T)/daug-cc-pVDZ

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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