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	hartrees
Energy at 0K	-147.361973
Energy at 298.15K	-147.364327
HF Energy	-147.053133
Nuclear repulsion energy	59.788575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3577	3577	14.31
2	A	1294	1294	0.18
3	A	880	880	11.63
4	A	813	813	136.90
5	A	500	500	1.05
6	B	3579	3579	103.86
7	B	2274	2274	450.79
8	B	879	879	722.76
9	B	505	505	76.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.025
N2	0.000	1.223	-0.077
N3	0.000	-1.223	-0.077
H4	0.594	1.844	0.465
H5	-0.594	-1.844	0.465

	C1	N2	N3	H4	H5
C1		1.2271	1.2271	1.9866	1.9866
N2	1.2271		2.4457	1.0161	3.1705
N3	1.2271	2.4457		3.1705	1.0161
H4	1.9866	1.0161	3.1705		3.8746
H5	1.9866	3.1705	1.0161	3.8746

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	124.397		C1	N3	H5	124.397
N2	C1	N3	170.481

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP3=FULL/3-21G

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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