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	hartrees
Energy at 0K	-148.557701
Energy at 298.15K	-148.560147
HF Energy	-147.968877
Nuclear repulsion energy	60.331342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3461	26.29
2	A	1288	1224	0.00
3	A	959	911	8.49
4	A	773	735	88.75
5	A	547	520	0.03
6	B	3640	3460	140.36
7	B	2225	2115	696.02
8	B	951	904	457.74
9	B	548	521	83.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.012
N2	0.000	1.217	-0.079
N3	0.000	-1.217	-0.079
H4	0.631	1.727	0.519
H5	-0.631	-1.727	0.519

	C1	N2	N3	H4	H5
C1		1.2200	1.2200	1.9070	1.9070
N2	1.2200		2.4332	1.0078	3.0690
N3	1.2200	2.4332		3.0690	1.0078
H4	1.9070	1.0078	3.0690		3.6767
H5	1.9070	3.0690	1.0078	3.6767

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.427		C1	N3	H5	117.427
N2	C1	N3	171.450

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCSD/cc-pVQZ

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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