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	hartrees
Energy at 0K	-93.209969
Energy at 298.15K	-93.210048
HF Energy	-92.883865
Nuclear repulsion energy	23.479421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3420	3318
2	Σ	2076	2014
3	Π	702	681
3	Π	702	681

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.511
H2	0.000	0.000	-1.592
N3	0.000	0.000	0.665

	C1	H2	N3
C1		1.0810	1.1755
H2	1.0810		2.2565
N3	1.1755	2.2565

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

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