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	hartrees
Energy at 0K	-93.430614
Energy at 298.15K	-93.430730
HF Energy	-93.430614
Nuclear repulsion energy	23.827151

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	3463	3339	67.61	28.98	0.23	0.38
2	Σ	2203	2124	2.05	51.15	0.14	0.25
3	Π	751	724	50.24	0.85	0.75	0.86
3	Π	751	724	50.24	0.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.573
N3	0.000	0.000	0.655

	C1	H2	N3
C1		1.0704	1.1577
H2	1.0704		2.2281
N3	1.1577	2.2281

Number	Element	Mulliken
1	C	0.105
2	H	0.239
3	N	-0.344

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

using model chemistry: B3LYP/6-31+G**

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>	13.997
(<r²>)^1/2	3.741