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	hartrees
Energy at 0K	-148.558670
Energy at 298.15K	-148.561118
HF Energy	-147.957883
Nuclear repulsion energy	60.377984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3462	25.71
2	A	1295	1228	0.00
3	A	956	907	8.22
4	A	781	740	89.26
5	A	547	519	0.01
6	B	3650	3461	129.45
7	B	2248	2131	662.69
8	B	949	899	457.66
9	B	545	517	86.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.010
N2	0.000	1.216	-0.079
N3	0.000	-1.216	-0.079
H4	0.629	1.725	0.520
H5	-0.629	-1.725	0.520

	C1	N2	N3	H4	H5
C1		1.2191	1.2191	1.9055	1.9055
N2	1.2191		2.4316	1.0067	3.0664
N3	1.2191	2.4316		3.0664	1.0067
H4	1.9055	1.0067	3.0664		3.6720
H5	1.9055	3.0664	1.0067	3.6720

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.449		C1	N3	H5	117.449
N2	C1	N3	171.612

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD=FULL/cc-pVTZ

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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