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	hartrees
Energy at 0K	-168.592580
Energy at 298.15K	-168.593567
HF Energy	-168.592580
Nuclear repulsion energy	58.564868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3639	3577	132.26
2	A'	2288	2248	620.79
3	A'	1292	1270	0.42
4	A'	773	760	208.00
5	A'	554	544	59.83
6	A"	596	586	0.35

Atom	x (Å)	y (Å)
H1	1.606	-1.107
N2	0.599	-1.016
C3	0.000	0.054
O4	-0.725	0.987

	H1	N2	C3	O4
H1		1.0112	1.9818	3.1340
N2	1.0112		1.2263	2.4017
C3	1.9818	1.2263		1.1822
O4	3.1340	2.4017	1.1822

Number	Element	Mulliken
1	H	0.324
2	N	-0.502
3	C	0.580
4	O	-0.402

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

using model chemistry: B97D3/6-31+G**

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
	2.218	-0.456	0.000	2.264
CHELPG
AIM
ESP

	x	y	z
x	3.001	-1.564	0.000
y	-1.564	4.278	0.000
z	0.000	0.000	1.881

<r²>	35.906
(<r²>)^1/2	5.992