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	hartrees
Energy at 0K	-93.420189
Energy at 298.15K	-93.420327
HF Energy	-93.420189
Nuclear repulsion energy	24.104968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3464	3464	63.44
2	Σ	2227	2227	1.31
3	Π	774	774	34.96
3	Π	774	774	34.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.495
H2	0.000	0.000	-1.560
N3	0.000	0.000	0.648

	C1	H2	N3
C1		1.0649	1.1430
H2	1.0649		2.2078
N3	1.1430	2.2078

Number	Element	Mulliken
1	C	-0.060
2	H	0.168
3	N	-0.108

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

using model chemistry: B1B95/cc-pCVTZ

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>	13.675
(<r²>)^1/2	3.698