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	hartrees
Energy at 0K	-168.649749
Energy at 298.15K	-168.650803
Nuclear repulsion energy	59.365206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3743	3573	156.20
2	A'	2391	2283	631.04
3	A'	1360	1299	0.29
4	A'	806	770	193.58
5	A'	578	551	97.53
6	A"	657	627	5.38

Atom	x (Å)	y (Å)
H1	1.311	-1.412
N2	0.354	-1.110
C3	0.000	0.049
O4	-0.474	1.111

	H1	N2	C3	O4
H1		1.0036	1.9627	3.0905
N2	1.0036		1.2112	2.3701
C3	1.9627	1.2112		1.1633
O4	3.0905	2.3701	1.1633

Number	Element	Mulliken
1	H	0.318
2	N	-0.623
3	C	0.588
4	O	-0.283

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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
	1.872	-0.860	0.000	2.060
CHELPG
AIM
ESP

	x	y	z
x	2.269	-0.941	0.000
y	-0.941	4.025	0.000
z	0.000	0.000	1.693

<r²>	34.819
(<r²>)^1/2	5.901