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	hartrees
Energy at 0K	-93.295845
Energy at 298.15K	-93.295946
HF Energy	-92.909800
Nuclear repulsion energy	24.032031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3495	3324	67.08
2	Σ	2198	2090	0.67
3	Π	728	692	34.34
3	Π	728	692	34.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.498
H2	0.000	0.000	-1.556
N3	0.000	0.000	0.649

	C1	H2	N3
C1		1.0579	1.1470
H2	1.0579		2.2049
N3	1.1470	2.2049

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

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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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