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	hartrees
Energy at 0K	-148.404002
Energy at 298.15K	-148.406448
HF Energy	-147.924919
Nuclear repulsion energy	59.567120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3596	3596	19.73
2	A	1267	1267	0.01
3	A	984	984	5.35
4	A	795	795	81.44
5	A	531	531	0.00
6	B	3595	3595	120.38
7	B	2191	2191	706.16
8	B	979	979	428.98
9	B	534	534	69.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.015
N2	0.000	1.233	-0.083
N3	0.000	-1.233	-0.083
H4	0.643	1.727	0.535
H5	-0.643	-1.727	0.535

	C1	N2	N3	H4	H5
C1		1.2372	1.2372	1.9147	1.9147
N2	1.2372		2.4666	1.0193	3.0915
N3	1.2372	2.4666		3.0915	1.0193
H4	1.9147	1.0193	3.0915		3.6855
H5	1.9147	3.0915	1.0193	3.6855

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.774		C1	N3	H5	115.774
N2	C1	N3	170.944

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: CCD/daug-cc-pVDZ

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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