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	hartrees
Energy at 0K	-168.593159
Energy at 298.15K	-168.593995
Nuclear repulsion energy	57.790274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3675	3647	164.66
2	A'	2243	2226	400.56
3	A'	1241	1231	6.55
4	A'	603	598	279.56
5	A'	523	519	17.22
6	A"	530	526	1.12

Atom	x (Å)	y (Å)
H1	1.771	-1.035
N2	0.770	-0.896
C3	0.000	0.055
O4	-0.895	0.873

	H1	N2	C3	O4
H1		1.0101	2.0791	3.2780
N2	1.0101		1.2239	2.4296
C3	2.0791	1.2239		1.2126
O4	3.2780	2.4296	1.2126

Number	Element	Mulliken
1	H	0.330
2	N	-0.431
3	C	0.413
4	O	-0.313

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

using model chemistry: BLYP/6-31G

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
	2.686	-0.657	0.000	2.765
CHELPG
AIM
ESP

<r²>	36.545
(<r²>)^1/2	6.045