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	hartrees
Energy at 0K	-166.811972
Energy at 298.15K	-166.812385
Nuclear repulsion energy	59.967062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4110	3722	615.52
2	Σ	2576	2333	709.13
3	Σ	1436	1301	41.33
4	Π	664	602	15.94
4	Π	664	602	15.94
5	Π	171	155	361.86
5	Π	171	155	361.86

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-2.098
N2	0.000	0.000	-1.122
C3	0.000	0.000	0.038
O4	0.000	0.000	1.216

	H1	N2	C3	O4
H1		0.9757	2.1358	3.3133
N2	0.9757		1.1601	2.3376
C3	2.1358	1.1601		1.1775
O4	3.3133	2.3376	1.1775

Number	Element	Mulliken	CHELPG	ESP
1	H	0.433	0.539	0.535
2	N	-0.908	-1.006	-0.981
3	C	1.084	1.097	1.058
4	O	-0.609	-0.630	-0.612

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

using model chemistry: HF/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
	0.000	0.000	-3.474	3.474
CHELPG	1.276	-3.245	0.000	3.487
AIM
ESP	0.000	0.000	-3.478	3.478

<r²>	34.886
(<r²>)^1/2	5.906