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	hartrees
Energy at 0K	-93.373627
Energy at 298.15K	-93.373747
HF Energy	-93.261342
Nuclear repulsion energy	23.856643

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	3469	3469	55.97	26.63	0.27	0.43
2	Σ	2127	2127	0.32	34.14	0.21	0.34
3	Π	756	756	40.01	0.43	0.75	0.86
3	Π	756	756	40.01	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.502
H2	0.000	0.000	-1.569
N3	0.000	0.000	0.655

	C1	H2	N3
C1		1.0668	1.1567
H2	1.0668		2.2235
N3	1.1567	2.2235

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

using model chemistry: B2PLYP=FULL/6-311G*

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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