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	hartrees
Energy at 0K	-148.511635
Energy at 298.15K	-148.514090
HF Energy	-147.957753
Nuclear repulsion energy	60.335521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3659	3457	26.10
2	A	1301	1229	0.00
3	A	969	916	7.35
4	A	793	749	88.30
5	A	544	514	0.00
6	B	3656	3454	131.68
7	B	2247	2123	690.62
8	B	960	907	450.46
9	B	544	514	85.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.217	-0.079
N3	0.000	-1.217	-0.079
H4	0.633	1.715	0.526
H5	-0.633	-1.715	0.526

	C1	N2	N3	H4	H5
C1		1.2204	1.2204	1.8998	1.8998
N2	1.2204		2.4342	1.0077	3.0604
N3	1.2204	2.4342		3.0604	1.0077
H4	1.8998	1.0077	3.0604		3.6567
H5	1.8998	3.0604	1.0077	3.6567

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.683		C1	N3	H5	116.683
N2	C1	N3	171.605

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3/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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