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	hartrees
Energy at 0K	-32.123647
Energy at 298.15K	-32.124640
Nuclear repulsion energy	30.491442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3641	3516	110.45
2	A'	2308	2229	708.93
3	A'	1312	1267	0.08
4	A'	822	794	213.78
5	A'	542	524	74.08
6	A"	601	581	0.94

Atom	x (Å)	y (Å)
H1	1.555	-1.151
N2	0.540	-1.063
C3	0.000	0.053
O4	-0.666	1.035

	H1	N2	C3	O4
H1		1.0189	1.9664	3.1162
N2	1.0189		1.2399	2.4200
C3	1.9664	1.2399		1.1865
O4	3.1162	2.4200	1.1865

Number	Element	Mulliken
1	H	0.333
2	N	-0.090
3	C	-0.218
4	O	-0.026

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

using model chemistry: B3LYP/CEP-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
	2.193	-0.449	0.000	2.238
CHELPG
AIM
ESP

	x	y	z
x	2.623	-1.319	0.000
y	-1.319	3.904	0.000
z	0.000	0.000	1.598

<r²>	30.990
(<r²>)^1/2	5.567