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	hartrees
Energy at 0K	-93.277172
Energy at 298.15K	-93.277283
HF Energy	-93.200320
Nuclear repulsion energy	23.481514

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	3505	3505	57.94	33.28	0.23	0.38
2	Σ	2055	2055	0.39	28.69	0.24	0.39
3	Π	746	746	58.27	0.19	0.75	0.86
3	Π	746	746	58.27	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.513
H2	0.000	0.000	-1.579
N3	0.000	0.000	0.666

	C1	H2	N3
C1		1.0661	1.1789
H2	1.0661		2.2450
N3	1.1789	2.2450

Number	Element	Mulliken
1	C	-0.025
2	H	0.265
3	N	-0.241

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

using model chemistry: B2PLYP/6-31G

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>	14.088
(<r²>)^1/2	3.753