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	hartrees
Energy at 0K	-32.058812
Energy at 298.15K	-32.059469
Nuclear repulsion energy	30.210652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3835	3714	314.18
2	A'	2286	2214	598.51
3	A'	1266	1226	15.31
4	A'	559	541	5.98
5	A'	329	319	351.87
6	A"	568	550	0.14

Atom	x (Å)	y (Å)
H1	1.156	-1.737
N2	0.376	-1.100
C3	0.000	0.059
O4	-0.506	1.167

	H1	N2	C3	O4
H1		1.0069	2.1364	3.3457
N2	1.0069		1.2190	2.4322
C3	2.1364	1.2190		1.2172
O4	3.3457	2.4322	1.2172

Number	Element	Mulliken
1	H	0.364
2	N	-0.023
3	C	-0.282
4	O	-0.060

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

using model chemistry: B3LYP/CEP-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
	2.322	-2.287	0.000	3.259
CHELPG
AIM
ESP

	x	y	z
x	1.778	-1.185	-0.000
y	-1.185	4.483	0.001
z	-0.000	0.001	1.295

<r²>	30.990
(<r²>)^1/2	5.567