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	hartrees
Energy at 0K	-93.276176
Energy at 298.15K	-93.276320
HF Energy	-93.276176
Nuclear repulsion energy	23.687047

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	3523	3368	60.90	28.29	0.22	0.36
2	Σ	2173	2077	2.44	33.69	0.24	0.39
3	Π	791	756	62.06	0.29	0.75	0.86
3	Π	791	756	62.06	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.507
H2	0.000	0.000	-1.574
N3	0.000	0.000	0.659

	C1	H2	N3
C1		1.0665	1.1666
H2	1.0665		2.2331
N3	1.1666	2.2331

Number	Element	Mulliken
1	C	-0.014
2	H	0.288
3	N	-0.274

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

using model chemistry: PBE1PBE/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>	13.915
(<r²>)^1/2	3.730