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	hartrees
Energy at 0K	-167.789556
Energy at 298.15K	-167.790482
Nuclear repulsion energy	58.315368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3636	3576	123.58
2	A'	2364	2326	119.81
3	A'	1184	1164	91.55
4	A'	1125	1106	103.71
5	A'	452	445	18.02
6	A"	516	507	2.39

Atom	x (Å)	y (Å)
N1	0.056	1.334
C2	0.000	0.174
O3	-0.140	-1.102
H4	0.721	-1.565

	N1	C2	O3	H4
N1		1.1614	2.4438	2.9741
C2	1.1614		1.2836	1.8826
O3	2.4438	1.2836		0.9775
H4	2.9741	1.8826	0.9775

Number	Element	Mulliken
1	N	-0.291
2	C	0.280
3	O	-0.446
4	H	0.457

All results from a given calculation for HOCN (cyanic acid)

using model chemistry: LSDA/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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	x	y	z	Total
	1.641	-3.842	0.000	4.177
CHELPG
AIM
ESP

	x	y	z
x	1.792	-0.075	0.000
y	-0.075	4.256	0.000
z	0.000	0.000	1.551

<r²>	0.000
(<r²>)^1/2	0.000