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	hartrees
Energy at 0K	-147.371942
Energy at 298.15K	-147.374262
HF Energy	-147.051259
Nuclear repulsion energy	59.417483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3579	3417	17.21
2	A	1249	1192	0.66
3	A	862	823	26.28
4	A	702	671	140.49
5	A	518	494	1.98
6	B	3582	3420	147.85
7	B	2249	2147	328.60
8	B	842	804	678.63
9	B	523	499	71.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.040
N2	0.000	1.229	-0.079
N3	0.000	-1.229	-0.079
H4	0.579	1.887	0.436
H5	-0.579	-1.887	0.436

	C1	N2	N3	H4	H5
C1		1.2352	1.2352	2.0129	2.0129
N2	1.2352		2.4589	1.0162	3.2112
N3	1.2352	2.4589		3.2112	1.0162
H4	2.0129	1.0162	3.2112		3.9472
H5	2.0129	3.2112	1.0162	3.9472

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.496		C1	N3	H5	126.496
N2	C1	N3	168.887

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: MP2=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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