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	hartrees
Energy at 0K	-93.412378
Energy at 298.15K	-93.412527
HF Energy	-93.412378
Nuclear repulsion energy	24.044641

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	3471	3320	64.21	20.68	0.23	0.38
2	Σ	2230	2133	2.33	39.66	0.21	0.34
3	Π	793	759	37.80	0.54	0.75	0.86
3	Π	793	759	37.80	0.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.497
H2	0.000	0.000	-1.564
N3	0.000	0.000	0.649

	C1	H2	N3
C1		1.0669	1.1460
H2	1.0669		2.2128
N3	1.1460	2.2128

Number	Element	Mulliken
1	C	0.037
2	H	0.194
3	N	-0.231

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

using model chemistry: wB97X-D/6-311G**

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>	13.697
(<r²>)^1/2	3.701