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	hartrees
Energy at 0K	-167.831358
Energy at 298.15K	-167.832491
Nuclear repulsion energy	60.393046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3529	202.10
2	A'	2449	2225	1178.07
3	A'	1445	1313	0.14
4	A'	887	806	227.65
5	A'	603	547	151.71
6	A"	729	662	19.75

Atom	x (Å)	y (Å)
H1	0.906	-1.658
N2	0.054	-1.147
C3	0.000	0.049
O4	-0.161	1.174

	H1	N2	C3	O4
H1		0.9930	1.9318	3.0261
N2	0.9930		1.1968	2.3312
C3	1.9318	1.1968		1.1371
O4	3.0261	2.3312	1.1371

Number	Element	Mulliken
1	H	0.226
2	N	-1.034
3	C	1.491
4	O	-0.682

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

using model chemistry: HF/6-311+G(3df,2p)

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
	1.682	-1.271	0.000	2.108
CHELPG
AIM
ESP

	x	y	z
x	2.265	-0.291	0.000
y	-0.291	4.581	0.000
z	0.000	0.000	2.194

<r²>	34.476
(<r²>)^1/2	5.872