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	hartrees
Energy at 0K	-167.682207
Energy at 298.15K	-167.683022
Nuclear repulsion energy	58.896710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3798	3627	292.41
2	A'	2420	2311	428.25
3	A'	1335	1275	8.83
4	A'	599	572	11.12
5	A'	432	412	312.27
6	A"	602	575	1.37

Atom	x (Å)	y (Å)
H1	1.292	-1.601
N2	0.451	-1.062
C3	0.000	0.043
O4	-0.556	1.097

	H1	N2	C3	O4
H1		0.9981	2.0905	3.2699
N2	0.9981		1.1937	2.3825
C3	2.0905	1.1937		1.1917
O4	3.2699	2.3825	1.1917

Number	Element	Mulliken
1	H	0.366
2	N	-0.705
3	C	0.807
4	O	-0.467

All results from a given calculation for HNCO (Isocyanic acid)

using model chemistry: B1B95/3-21G*

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
	2.263	-1.726	0.000	2.846
CHELPG
AIM
ESP

	x	y	z
x	1.547	-1.227	0.000
y	-1.227	3.477	0.000
z	0.000	0.000	0.848

<r²>	35.413
(<r²>)^1/2	5.951