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	hartrees
Energy at 0K	-168.526159
Energy at 298.15K
HF Energy	-168.369021
Nuclear repulsion energy	58.751721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3709	3520	137.66
2	A'	2346	2227	535.10
3	A'	1319	1252	0.45
4	A'	803	762	249.63
5	A'	563	534	67.03
6	A"	609	578	1.85

Atom	x (Å)	y (Å)
H1	1.540	-1.190
N2	0.543	-1.043
C3	0.000	0.052
O4	-0.667	1.023

	H1	N2	C3	O4
H1		1.0076	1.9779	3.1254
N2	1.0076		1.2220	2.3945
C3	1.9779	1.2220		1.1786
O4	3.1254	2.3945	1.1786

Number	Element	Mulliken
1	H	0.390
2	N	-0.677
3	C	0.717
4	O	-0.430

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

using model chemistry: B2PLYP/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
x	2.436	-1.386	0.000
y	-1.386	3.703	0.000
z	0.000	0.000	1.295

<r²>	35.560
(<r²>)^1/2	5.963