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	hartrees
Energy at 0K	-92.887090
Energy at 298.15K	-92.887206
HF Energy	-92.887090
Nuclear repulsion energy	23.678909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3397	3359	68.56
2	Σ	2158	2134	1.09
3	Π	749	741	35.13
3	Π	749	741	35.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.504
H2	0.000	0.000	-1.591
N3	0.000	0.000	0.659

	C1	H2	N3
C1		1.0868	1.1630
H2	1.0868		2.2498
N3	1.1630	2.2498

Number	Element	Mulliken
1	C	-0.062
2	H	0.126
3	N	-0.064

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

using model chemistry: LSDA/cc-pVDZ

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>	13.868
(<r²>)^1/2	3.724