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	hartrees
Energy at 0K	-93.425152
Energy at 298.15K	-93.425304
HF Energy	-93.425152
Nuclear repulsion energy	24.120327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3446	3446	71.24
2	Σ	2250	2250	2.84
3	Π	792	792	33.88
3	Π	792	792	33.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.495
H2	0.000	0.000	-1.561
N3	0.000	0.000	0.647

	C1	H2	N3
C1		1.0666	1.1418
H2	1.0666		2.2083
N3	1.1418	2.2083

Number	Element	Mulliken
1	C	-0.036
2	H	0.123
3	N	-0.087

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

using model chemistry: M06-2X/cc-pCVTZ

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>	13.720
(<r²>)^1/2	3.704