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	hartrees
Energy at 0K	-168.607770
Energy at 298.15K	-168.608785
HF Energy	-168.607770
Nuclear repulsion energy	59.178422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3727	3530	180.46
2	A'	2414	2286	725.82
3	A'	1383	1310	0.37
4	A'	771	730	227.58
5	A'	566	536	110.44
6	A"	636	602	5.71

Atom	x (Å)	y (Å)
H1	1.368	-1.379
N2	0.401	-1.096
C3	0.000	0.050
O4	-0.522	1.094

	H1	N2	C3	O4
H1		1.0075	1.9783	3.1130
N2	1.0075		1.2136	2.3765
C3	1.9783	1.2136		1.1677
O4	3.1130	2.3765	1.1677

Number	Element	Mulliken
1	H	0.389
2	N	-0.666
3	C	0.682
4	O	-0.406

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

using model chemistry: M06-2X/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
	2.135	-0.844	0.000	2.296
CHELPG
AIM
ESP

	x	y	z
x	2.048	-1.127	0.000
y	-1.127	3.898	0.000
z	0.000	0.000	1.290

<r²>	0.000
(<r²>)^1/2	0.000