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	hartrees
Energy at 0K	-168.545292
Energy at 298.15K	-168.546125
Nuclear repulsion energy	58.528342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3696	277.63
2	A'	2359	2259	538.84
3	A'	1310	1255	11.14
4	A'	566	542	20.74
5	A'	509	487	323.90
6	A"	566	542	0.07

Atom	x (Å)	y (Å)
H1	1.521	-1.386
N2	0.604	-0.994
C3	0.000	0.048
O4	-0.719	1.007

	H1	N2	C3	O4
H1		0.9976	2.0910	3.2778
N2	0.9976		1.2049	2.3986
C3	2.0910	1.2049		1.1979
O4	3.2778	2.3986	1.1979

Number	Element	Mulliken
1	H	0.378
2	N	-0.527
3	C	0.521
4	O	-0.372

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
	2.639	-1.401	0.000	2.988
CHELPG
AIM
ESP

<r²>	35.965
(<r²>)^1/2	5.997