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	hartrees
Energy at 0K	-148.342395
Energy at 298.15K	-148.344799
HF Energy	-147.893089
Nuclear repulsion energy	59.881341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3630	3407	20.75
2	A	1307	1227	0.03
3	A	971	911	7.23
4	A	818	767	110.99
5	A	516	485	0.03
6	B	3629	3406	94.92
7	B	2267	2128	590.84
8	B	966	907	506.38
9	B	513	481	76.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.018
N2	0.000	1.225	-0.082
N3	0.000	-1.225	-0.082
H4	0.636	1.742	0.517
H5	-0.636	-1.742	0.517

	C1	N2	N3	H4	H5
C1		1.2294	1.2294	1.9205	1.9205
N2	1.2294		2.4508	1.0148	3.0932
N3	1.2294	2.4508		3.0932	1.0148
H4	1.9205	1.0148	3.0932		3.7089
H5	1.9205	3.0932	1.0148	3.7089

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.366		C1	N3	H5	117.366
N2	C1	N3	170.723

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3/6-31G*

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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