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	hartrees
Energy at 0K	-168.689579
Energy at 298.15K	-168.690626
Nuclear repulsion energy	59.559601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3718	3558	159.74
2	A'	2379	2277	721.77
3	A'	1357	1299	0.20
4	A'	798	764	196.17
5	A'	573	548	93.89
6	A"	646	618	4.64

Atom	x (Å)	y (Å)
H1	1.302	-1.415
N2	0.349	-1.107
C3	0.000	0.048
O4	-0.468	1.109

	H1	N2	C3	O4
H1		1.0020	1.9593	3.0834
N2	1.0020		1.2070	2.3619
C3	1.9593	1.2070		1.1594
O4	3.0834	2.3619	1.1594

Number	Element	Mulliken
1	H	0.214
2	N	-0.279
3	C	0.275
4	O	-0.210

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

using model chemistry: B1B95/cc-pVTZ

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
	1.892	-0.940	0.000	2.112
CHELPG
AIM
ESP

	x	y	z
x	2.394	-0.949	0.000
y	-0.949	4.261	0.000
z	0.000	0.000	1.837

<r²>	34.837
(<r²>)^1/2	5.902