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	hartrees
Energy at 0K	-31.441515
Energy at 298.15K	-31.442612
Nuclear repulsion energy	31.110942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3887	3490	167.17
2	A'	2454	2204	1237.90
3	A'	1436	1290	0.55
4	A'	900	808	258.62
5	A'	581	522	148.76
6	A"	697	626	18.69

Atom	x (Å)	y (Å)
H1	1.018	-1.595
N2	0.113	-1.166
C3	0.000	0.048
O4	-0.226	1.184

	H1	N2	C3	O4
H1		1.0021	1.9337	3.0452
N2	1.0021		1.2197	2.3743
C3	1.9337	1.2197		1.1578
O4	3.0452	2.3743	1.1578

Number	Element	Mulliken
1	H	0.379
2	N	-0.228
3	C	-0.035
4	O	-0.116

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

using model chemistry: HF/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
	2.015	-1.102	0.000	2.297
CHELPG
AIM
ESP

	x	y	z
x	1.762	-0.485	0.000
y	-0.485	4.272	0.000
z	0.000	0.000	1.537

<r²>	30.479
(<r²>)^1/2	5.521