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	hartrees
Energy at 0K	-168.612963
Energy at 298.15K	-168.613793
Nuclear repulsion energy	58.443123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3683	257.88
2	A'	2335	2246	516.08
3	A'	1300	1251	10.25
4	A'	560	539	35.98
5	A'	516	497	305.72
6	A"	559	537	0.03

Atom	x (Å)	y (Å)
H1	1.555	-1.345
N2	0.623	-0.985
C3	0.000	0.049
O4	-0.739	0.994

	H1	N2	C3	O4
H1		0.9990	2.0879	3.2758
N2	0.9990		1.2070	2.4022
C3	2.0879	1.2070		1.1997
O4	3.2758	2.4022	1.1997

Number	Element	Mulliken
1	H	0.358
2	N	-0.484
3	C	0.481
4	O	-0.355

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

using model chemistry: B3LYP/6-31G

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
	2.651	-1.306	0.000	2.955
CHELPG
AIM
ESP

	x	y	z
x	2.304	-1.628	0.000
y	-1.628	3.501	0.000
z	0.000	0.000	1.037

<r²>	36.054
(<r²>)^1/2	6.005