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	hartrees
Energy at 0K	-168.658997
Energy at 298.15K	-168.660032
Nuclear repulsion energy	59.356365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3583	134.34
2	A'	2381	2292	677.76
3	A'	1350	1300	0.61
4	A'	787	757	229.08
5	A'	576	555	94.99
6	A"	640	616	4.07

Atom	x (Å)	y (Å)
H1	1.349	-1.401
N2	0.393	-1.094
C3	0.000	0.050
O4	-0.512	1.095

	H1	N2	C3	O4
H1		1.0043	1.9810	3.1135
N2	1.0043		1.2096	2.3690
C3	1.9810	1.2096		1.1640
O4	3.1135	2.3690	1.1640

Number	Element	Mulliken
1	H	0.368
2	N	-0.620
3	C	0.525
4	O	-0.274

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

using model chemistry: B3PW91/6-311G*

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
	2.118	-0.896	0.000	2.300
CHELPG
AIM
ESP

<r²>	35.014
(<r²>)^1/2	5.917