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	hartrees
Energy at 0K	-148.517109
Energy at 298.15K	-148.519559
HF Energy	-147.964299
Nuclear repulsion energy	60.355827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3666	3666	27.23
2	A	1304	1304	0.00
3	A	965	965	7.41
4	A	787	787	90.78
5	A	546	546	0.01
6	B	3663	3663	142.59
7	B	2244	2244	726.18
8	B	956	956	453.47
9	B	549	549	87.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.011
N2	0.000	1.216	-0.079
N3	0.000	-1.216	-0.079
H4	0.631	1.720	0.523
H5	-0.631	-1.720	0.523

	C1	N2	N3	H4	H5
C1		1.2198	1.2198	1.9027	1.9027
N2	1.2198		2.4329	1.0072	3.0636
N3	1.2198	2.4329		3.0636	1.0072
H4	1.9027	1.0072	3.0636		3.6650
H5	1.9027	3.0636	1.0072	3.6650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.063		C1	N3	H5	117.063
N2	C1	N3	171.543

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3/Def2TZVPP

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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