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	hartrees
Energy at 0K	-168.649865
Energy at 298.15K	-168.650826
Nuclear repulsion energy	58.135235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3634	133.39
2	A'	2392	2308	111.30
3	A'	1247	1203	92.05
4	A'	1106	1067	67.46
5	A'	474	457	14.55
6	A"	533	514	5.15

Atom	x (Å)	y (Å)
N1	0.082	1.335
C2	0.000	0.180
O3	-0.159	-1.109
H4	0.700	-1.554

	N1	C2	O3	H4
N1		1.1589	2.4563	2.9546
C2	1.1589		1.2982	1.8694
O3	2.4563	1.2982		0.9678
H4	2.9546	1.8694	0.9678

Number	Element	Mulliken
1	N	-0.372
2	C	0.386
3	O	-0.363
4	H	0.349

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

using model chemistry: B3LYP/6-31G(2df,p)

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
	1.311	-3.669	0.000	3.896
CHELPG
AIM
ESP

	x	y	z
x	1.965	-0.048	0.000
y	-0.048	4.123	0.000
z	0.000	0.000	1.754

<r²>	0.000
(<r²>)^1/2	0.000