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	hartrees
Energy at 0K	-93.442060
Energy at 298.15K	-93.442154
HF Energy	-93.442060
Nuclear repulsion energy	23.829188

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	3360	3349	56.79	34.05	0.24	0.39
2	Σ	2111	2104	0.23	65.07	0.08	0.14
3	Π	719	717	37.29	0.27	0.75	0.86
3	Π	719	717	37.29	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.574
N3	0.000	0.000	0.655

	C1	H2	N3
C1		1.0715	1.1573
H2	1.0715		2.2289
N3	1.1573	2.2289

Number	Element	Mulliken
1	C	-0.307
2	H	0.561
3	N	-0.254

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

using model chemistry: BLYP/aug-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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<r²>	14.044
(<r²>)^1/2	3.747