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	hartrees
Energy at 0K	-168.502898
Energy at 298.15K	-168.503876
Nuclear repulsion energy	58.437073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3625	3575	113.81
2	A'	2310	2279	477.91
3	A'	1297	1279	0.32
4	A'	784	773	204.07
5	A'	545	537	54.17
6	A"	587	579	0.46

Atom	x (Å)	y (Å)
H1	1.629	-1.074
N2	0.616	-1.009
C3	0.000	0.053
O4	-0.743	0.977

	H1	N2	C3	O4
H1		1.0149	1.9811	3.1357
N2	1.0149		1.2284	2.4068
C3	1.9811	1.2284		1.1853
O4	3.1357	2.4068	1.1853

Number	Element	Mulliken
1	H	0.300
2	N	-0.544
3	C	0.600
4	O	-0.357

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

using model chemistry: PBEPBE/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
	2.108	-0.381	0.000	2.142
CHELPG
AIM
ESP

	x	y	z
x	2.706	-1.436	0.000
y	-1.436	3.490	0.000
z	0.000	0.000	1.331

<r²>	35.621
(<r²>)^1/2	5.968