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	hartrees
Energy at 0K	-148.368467
Energy at 298.15K	-148.370900
HF Energy	-147.911540
Nuclear repulsion energy	59.673410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3618	3430	22.12
2	A	1288	1221	0.01
3	A	999	947	3.45
4	A	823	780	83.72
5	A	514	487	0.05
6	B	3618	3430	79.80
7	B	2240	2123	561.13
8	B	991	939	394.87
9	B	518	491	70.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.232	-0.082
N3	0.000	-1.232	-0.082
H4	0.657	1.699	0.545
H5	-0.657	-1.699	0.545

	C1	N2	N3	H4	H5
C1		1.2352	1.2352	1.8979	1.8979
N2	1.2352		2.4634	1.0211	3.0678
N3	1.2352	2.4634		3.0678	1.0211
H4	1.8979	1.0211	3.0678		3.6420
H5	1.8979	3.0678	1.0211	3.6420

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	114.183		C1	N3	H5	114.183
N2	C1	N3	171.381

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3/cc-pVDZ

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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