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	hartrees
Energy at 0K	-148.375147
Energy at 298.15K	-148.377583
HF Energy	-147.911702
Nuclear repulsion energy	59.711311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3408	22.46
2	A	1291	1214	0.01
3	A	999	939	3.63
4	A	823	774	84.01
5	A	516	485	0.05
6	B	3624	3407	81.44
7	B	2245	2111	564.13
8	B	990	931	396.54
9	B	520	489	71.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.231	-0.082
N3	0.000	-1.231	-0.082
H4	0.656	1.699	0.544
H5	-0.656	-1.699	0.544

	C1	N2	N3	H4	H5
C1		1.2344	1.2344	1.8977	1.8977
N2	1.2344		2.4619	1.0203	3.0669
N3	1.2344	2.4619		3.0669	1.0203
H4	1.8977	1.0203	3.0669		3.6419
H5	1.8977	3.0669	1.0203	3.6419

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	114.296		C1	N3	H5	114.296
N2	C1	N3	171.435

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3=FULL/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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