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	hartrees
Energy at 0K	-148.453498
Energy at 298.15K	-148.455948
HF Energy	-147.929066
Nuclear repulsion energy	60.205527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3664	18.92
2	A	1302	1302	0.02
3	A	977	977	6.81
4	A	817	817	112.53
5	A	537	537	0.05
6	B	3662	3662	94.05
7	B	2263	2263	639.85
8	B	975	975	505.51
9	B	539	539	89.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.011
N2	0.000	1.219	-0.079
N3	0.000	-1.219	-0.079
H4	0.633	1.731	0.518
H5	-0.633	-1.731	0.518

	C1	N2	N3	H4	H5
C1		1.2226	1.2226	1.9116	1.9116
N2	1.2226		2.4385	1.0094	3.0759
N3	1.2226	2.4385		3.0759	1.0094
H4	1.9116	1.0094	3.0759		3.6862
H5	1.9116	3.0759	1.0094	3.6862

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.526		C1	N3	H5	117.526
N2	C1	N3	171.559

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3=FULL/6-311G*

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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