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	hartrees
Energy at 0K	-167.672643
Energy at 298.15K	-167.673484
Nuclear repulsion energy	58.760477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3779	3626	272.00
2	A'	2407	2309	415.25
3	A'	1327	1273	7.97
4	A'	600	575	15.12
5	A'	464	445	308.60
6	A"	601	577	1.14

Atom	x (Å)	y (Å)
H1	1.343	-1.553
N2	0.474	-1.056
C3	0.000	0.044
O4	-0.583	1.086

	H1	N2	C3	O4
H1		1.0008	2.0861	3.2664
N2	1.0008		1.1976	2.3883
C3	2.0861	1.1976		1.1939
O4	3.2664	2.3883	1.1939

Number	Element	Mulliken
1	H	0.368
2	N	-0.708
3	C	0.806
4	O	-0.466

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

using model chemistry: B3PW91/3-21G*

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
	2.322	-1.599	0.000	2.819
CHELPG
AIM
ESP

<r²>	35.535
(<r²>)^1/2	5.961