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	hartrees
Energy at 0K	-168.693261
Energy at 298.15K	-168.694289
Nuclear repulsion energy	58.904311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3640	3531	127.02
2	A'	2339	2269	613.59
3	A'	1327	1287	0.32
4	A'	826	801	195.47
5	A'	559	542	66.74
6	A"	619	601	2.97

Atom	x (Å)	y (Å)
H1	1.414	-1.309
N2	0.422	-1.097
C3	0.000	0.050
O4	-0.546	1.087

	H1	N2	C3	O4
H1		1.0148	1.9612	3.0952
N2	1.0148		1.2223	2.3888
C3	1.9612	1.2223		1.1717
O4	3.0952	2.3888	1.1717

Number	Element	Mulliken
1	H	0.146
2	N	-0.208
3	C	0.203
4	O	-0.141

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

using model chemistry: B3LYP/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	Total
	1.942	-0.704	0.000	2.065
CHELPG
AIM
ESP

	x	y	z
x	2.205	-1.131	0.000
y	-1.131	3.786	0.000
z	0.000	0.000	1.375

<r²>	35.230
(<r²>)^1/2	5.935