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	hartrees
Energy at 0K	-93.390166
Energy at 298.15K	-93.390306
HF Energy	-93.390166
Nuclear repulsion energy	23.919010

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	3489	3322	75.96	26.56	0.23	0.38
2	Σ	2265	2157	3.92	50.98	0.15	0.26
3	Π	782	745	49.85	0.59	0.75	0.86
3	Π	782	745	49.85	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.500
H2	0.000	0.000	-1.570
N3	0.000	0.000	0.653

	C1	H2	N3
C1		1.0706	1.1524
H2	1.0706		2.2229
N3	1.1524	2.2229

Number	Element	Mulliken
1	C	0.064
2	H	0.262
3	N	-0.326

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

using model chemistry: M06-2X/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>	13.900
(<r²>)^1/2	3.728