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	hartrees
Energy at 0K	-93.397374
Energy at 298.15K	-93.397479
HF Energy	-93.397374
Nuclear repulsion energy	23.869957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3382	3338	52.67	32.17	0.24	0.38
2	Σ	2127	2099	0.14	60.83	0.08	0.16
3	Π	734	725	37.82	0.36	0.75	0.86
3	Π	734	725	37.82	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.501
H2	0.000	0.000	-1.572
N3	0.000	0.000	0.654

	C1	H2	N3
C1		1.0710	1.1551
H2	1.0710		2.2261
N3	1.1551	2.2261

Number	Element	Mulliken
1	C	0.428
2	H	0.258
3	N	-0.686

All results from a given calculation for HCN (Hydrogen cyanide)

using model chemistry: B97D3/6-311+G(3df,2p)

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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<r²>	13.923
(<r²>)^1/2	3.731