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	hartrees
Energy at 0K	-148.124617
Energy at 298.15K	-148.126916
HF Energy	-147.811841
Nuclear repulsion energy	59.386168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3664	10.79
2	A	1285	1285	0.00
3	A	865	865	11.52
4	A	797	797	165.32
5	A	498	498	0.90
6	B	3666	3666	131.77
7	B	2237	2237	576.40
8	B	861	861	758.96
9	B	462	462	60.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.048
N2	0.000	1.231	-0.083
N3	0.000	-1.231	-0.083
H4	0.579	1.879	0.436
H5	-0.579	-1.879	0.436

	C1	N2	N3	H4	H5
C1		1.2376	1.2376	2.0040	2.0040
N2	1.2376		2.4614	1.0122	3.2052
N3	1.2376	2.4614		3.2052	1.0122
H4	2.0040	1.0122	3.2052		3.9320
H5	2.0040	3.2052	1.0122	3.9320

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.642		C1	N3	H5	125.642
N2	C1	N3	167.915

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3=FULL/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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