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	hartrees
Energy at 0K	-167.792475
Energy at 298.15K	-167.793618
Nuclear repulsion energy	59.997699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3518	183.05
2	A'	2431	2213	1164.30
3	A'	1431	1303	0.15
4	A'	924	841	236.97
5	A'	611	556	118.76
6	A"	718	654	18.20

Atom	x (Å)	y (Å)
H1	0.927	-1.638
N2	0.051	-1.157
C3	0.000	0.048
O4	-0.161	1.181

	H1	N2	C3	O4
H1		0.9989	1.9243	3.0218
N2	0.9989		1.2066	2.3480
C3	1.9243	1.2066		1.1443
O4	3.0218	2.3480	1.1443

Number	Element	Mulliken
1	H	0.069
2	N	-0.133
3	C	0.398
4	O	-0.334

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

using model chemistry: HF/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	Total
	1.698	-1.198	0.000	2.078
CHELPG
AIM
ESP

	x	y	z
x	2.321	-0.311	0.000
y	-0.311	4.638	0.000
z	0.000	0.000	2.224

<r²>	34.834
(<r²>)^1/2	5.902