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	hartrees
Energy at 0K	-168.710288
Energy at 298.15K	-168.711327
Nuclear repulsion energy	58.940383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3657	3549	145.49
2	A'	2311	2242	732.11
3	A'	1321	1282	0.25
4	A'	821	796	204.97
5	A'	568	551	68.62
6	A"	626	608	2.02

Atom	x (Å)	y (Å)
H1	1.441	-1.291
N2	0.451	-1.084
C3	0.000	0.051
O4	-0.575	1.072

	H1	N2	C3	O4
H1		1.0112	1.9691	3.1058
N2	1.0112		1.2210	2.3870
C3	1.9691	1.2210		1.1714
O4	3.1058	2.3870	1.1714

Number	Element	Mulliken
1	H	-0.039
2	N	0.077
3	C	0.181
4	O	-0.219

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

using model chemistry: B3LYP/aug-cc-pVDZ

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
x	3.081	-1.137	0.001
y	-1.137	4.653	-0.005
z	0.001	-0.005	2.397

<r²>	35.655
(<r²>)^1/2	5.971