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	hartrees
Energy at 0K	-168.610908
Energy at 298.15K	-168.611919
Nuclear repulsion energy	58.992731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3550	140.02
2	A'	2379	2276	606.39
3	A'	1349	1290	0.40
4	A'	792	758	233.39
5	A'	566	541	76.09
6	A"	618	591	3.14

Atom	x (Å)	y (Å)
H1	1.464	-1.278
N2	0.478	-1.069
C3	0.000	0.051
O4	-0.601	1.057

	H1	N2	C3	O4
H1		1.0074	1.9767	3.1172
N2	1.0074		1.2172	2.3843
C3	1.9767	1.2172		1.1725
O4	3.1172	2.3843	1.1725

Number	Element	Mulliken	ESP
1	H	0.383	0.387
2	N	-0.652	-0.652
3	C	0.662	0.605
4	O	-0.392	-0.341

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

using model chemistry: B3PW91/6-31G*

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
	2.147	-0.676	0.000	2.251
CHELPG
AIM
ESP	2.210	-0.615	0.000	2.294

<r²>	35.195
(<r²>)^1/2	5.933