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	hartrees
Energy at 0K	-168.627686
Energy at 298.15K	-168.628717
Nuclear repulsion energy	58.991893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3670	3542	138.27
2	A'	2365	2282	626.68
3	A'	1339	1292	0.30
4	A'	820	791	190.25
5	A'	560	541	72.82
6	A"	626	604	3.33

Atom	x (Å)	y (Å)
H1	1.396	-1.324
N2	0.407	-1.101
C3	0.000	0.050
O4	-0.531	1.092

	H1	N2	C3	O4
H1		1.0137	1.9584	3.0901
N2	1.0137		1.2206	2.3853
C3	1.9584	1.2206		1.1698
O4	3.0901	2.3853	1.1698

Number	Element	Mulliken
1	H	0.159
2	N	-0.248
3	C	0.245
4	O	-0.156

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

using model chemistry: B3PW91/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
	1.946	-0.718	0.000	2.074
CHELPG
AIM
ESP

<r²>	35.122
(<r²>)^1/2	5.926