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	hartrees
Energy at 0K	-93.406875
Energy at 298.15K	-93.406986
HF Energy	-93.406875
Nuclear repulsion energy	23.574249

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	3374	3379	50.75	35.18	0.27	0.42
2	Σ	2107	2111	0.43	37.47	0.22	0.36
3	Π	742	743	33.52	0.00	0.75	0.86
3	Π	742	743	33.52	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.507
H2	0.000	0.000	-1.591
N3	0.000	0.000	0.662

	C1	H2	N3
C1		1.0839	1.1697
H2	1.0839		2.2535
N3	1.1697	2.2535

Number	Element	Mulliken
1	C	-0.010
2	H	0.071
3	N	-0.061

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

using model chemistry: BLYP/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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<r²>	13.934
(<r²>)^1/2	3.733