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	hartrees
Energy at 0K	-93.363850
Energy at 298.15K	-93.363952
HF Energy	-92.914274
Nuclear repulsion energy	23.892991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3459	3459
2	Σ	2128	2128
3	Π	730	730
3	Π	730	730

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.501
H2	0.000	0.000	-1.566
N3	0.000	0.000	0.653

	C1	H2	N3
C1		1.0644	1.1548
H2	1.0644		2.2191
N3	1.1548	2.2191

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

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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