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	hartrees
Energy at 0K	-167.806025
Energy at 298.15K	-167.807144
Nuclear repulsion energy	60.354294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3925	3550	179.06
2	A'	2483	2245	1116.88
3	A'	1455	1316	0.06
4	A'	869	786	260.33
5	A'	597	540	183.91
6	A"	724	655	24.71

Atom	x (Å)	y (Å)
H1	0.914	-1.669
N2	0.073	-1.145
C3	0.000	0.049
O4	-0.178	1.174

	H1	N2	C3	O4
H1		0.9912	1.9454	3.0451
N2	0.9912		1.1954	2.3320
C3	1.9454	1.1954		1.1393
O4	3.0451	2.3320	1.1393

Number	Element	Mulliken	CHELPG	ESP
1	H	0.392	0.424	0.430
2	N	-0.733	-0.831	-0.817
3	C	0.711	0.883	0.837
4	O	-0.370	-0.475	-0.450

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

using model chemistry: HF/6-311G*

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
	1.919	-1.335	0.000	2.338
CHELPG
AIM
ESP	1.986	-1.293	0.000	2.370

	x	y	z
x	1.551	-0.390	0.000
y	-0.390	4.099	0.000
z	0.000	0.000	1.360

<r²>	34.417
(<r²>)^1/2	5.867