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	hartrees
Energy at 0K	-168.601272
Energy at 298.15K	-168.602145
Nuclear repulsion energy	56.916635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3673	3530	114.12
2	A'	2297	2208	95.85
3	A'	1190	1144	101.76
4	A'	1020	981	111.82
5	A'	442	425	19.11
6	A"	484	465	0.18

Atom	x (Å)	y (Å)
N1	-0.027	1.369
C2	0.000	0.185
O3	-0.076	-1.137
H4	0.792	-1.596

	N1	C2	O3	H4
N1		1.1838	2.5066	3.0759
C2	1.1838		1.3247	1.9496
O3	2.5066	1.3247		0.9815
H4	3.0759	1.9496	0.9815

Number	Element	Mulliken
1	N	-0.083
2	C	0.057
3	O	-0.394
4	H	0.420

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

using model chemistry: B3LYP/LANL2DZ

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
	2.042	-3.429	0.000	3.991
CHELPG
AIM
ESP

	x	y	z
x	1.670	-0.275	0.000
y	-0.275	4.429	0.000
z	0.000	0.000	1.341

<r²>	0.000
(<r²>)^1/2	0.000