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	hartrees
Energy at 0K	-167.737591
Energy at 298.15K	-167.738453
Nuclear repulsion energy	58.699392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3735	3593	235.54
2	A'	2381	2290	409.97
3	A'	1319	1268	7.28
4	A'	596	574	29.57
5	A'	499	480	291.70
6	A"	593	571	0.96

Atom	x (Å)	y (Å)
H1	1.401	-1.488
N2	0.500	-1.047
C3	0.000	0.044
O4	-0.613	1.069

	H1	N2	C3	O4
H1		1.0027	2.0760	3.2551
N2	1.0027		1.2002	2.3912
C3	2.0760	1.2002		1.1945
O4	3.2551	2.3912	1.1945

Number	Element	Mulliken
1	H	0.348
2	N	-0.673
3	C	0.779
4	O	-0.454

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

using model chemistry: B3LYP/3-21G*

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
	2.345	-1.424	0.000	2.744
CHELPG
AIM
ESP

	x	y	z
x	1.728	-1.325	0.000
y	-1.325	3.372	0.000
z	0.000	0.000	0.854

<r²>	35.579
(<r²>)^1/2	5.965