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	hartrees
Energy at 0K	-148.514879
Energy at 298.15K	-148.517328
HF Energy	-147.964137
Nuclear repulsion energy	60.297767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3647	26.41
2	A	1295	1295	0.00
3	A	963	963	7.19
4	A	787	787	90.92
5	A	545	545	0.01
6	B	3644	3644	140.62
7	B	2237	2237	711.12
8	B	955	955	454.38
9	B	549	549	87.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.218	-0.079
N3	0.000	-1.218	-0.079
H4	0.633	1.722	0.522
H5	-0.633	-1.722	0.522

	C1	N2	N3	H4	H5
C1		1.2209	1.2209	1.9048	1.9048
N2	1.2209		2.4352	1.0085	3.0665
N3	1.2209	2.4352		3.0665	1.0085
H4	1.9048	1.0085	3.0665		3.6693
H5	1.9048	3.0665	1.0085	3.6693

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.073		C1	N3	H5	117.073
N2	C1	N3	171.606

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCD/Def2TZVPP

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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