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	hartrees
Energy at 0K	-92.182329
Energy at 298.15K	-92.182431
HF Energy	-92.182329
Nuclear repulsion energy	23.261345

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	3647	3221	129.85	19.90	0.30	0.46
2	Σ	2249	1986	0.21	16.41	0.22	0.35
3	Π	814	718	27.91	0.07	0.75	0.86
3	Π	814	718	27.91	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.516
H2	0.000	0.000	-1.603
N3	0.000	0.000	0.672

	C1	H2	N3
C1		1.0862	1.1879
H2	1.0862		2.2741
N3	1.1879	2.2741

Number	Element	Mulliken
1	C	-0.001
2	H	0.154
3	N	-0.153

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

using model chemistry: B1B95/STO-3G

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>	13.642
(<r²>)^1/2	3.693