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	hartrees
Energy at 0K	-147.371942
Energy at 298.15K	-147.374257
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	3393	17.21
2	A	1249	1184	0.66
3	A	862	817	26.28
4	A	702	666	140.49
5	A	518	491	1.98
6	B	3582	3396	147.85
7	B	2249	2132	328.60
8	B	842	799	678.63
9	B	523	495	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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