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	hartrees
Energy at 0K	-93.421970
Energy at 298.15K	-93.422106
HF Energy	-93.421970
Nuclear repulsion energy	24.097687

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	3467	3467	64.97	26.29	0.21	0.35
2	Σ	2229	2229	1.66	49.43	0.13	0.24
3	Π	776	776	36.26	0.40	0.75	0.86
3	Π	776	776	36.26	0.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.496
H2	0.000	0.000	-1.561
N3	0.000	0.000	0.648

	C1	H2	N3
C1		1.0651	1.1433
H2	1.0651		2.2084
N3	1.1433	2.2084

Number	Element	Mulliken
1	C	-0.197
2	H	0.214
3	N	-0.018

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

using model chemistry: B1B95/Def2TZVPP

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>	13.719
(<r²>)^1/2	3.704