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	hartrees
Energy at 0K	-168.672539
Energy at 298.15K	-168.673573
Nuclear repulsion energy	59.451383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3574	138.73
2	A'	2391	2292	687.35
3	A'	1356	1300	0.51
4	A'	785	752	224.64
5	A'	574	551	98.55
6	A"	641	615	4.31

Atom	x (Å)	y (Å)
H1	1.334	-1.409
N2	0.381	-1.096
C3	0.000	0.050
O4	-0.500	1.098

	H1	N2	C3	O4
H1		1.0030	1.9771	3.1071
N2	1.0030		1.2079	2.3653
C3	1.9771	1.2079		1.1619
O4	3.1071	2.3653	1.1619

Number	Element	Mulliken
1	H	0.365
2	N	-0.608
3	C	0.511
4	O	-0.269

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

using model chemistry: B1B95/6-311G*

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
	2.100	-0.913	0.000	2.289
CHELPG
AIM
ESP

	x	y	z
x	2.059	-1.076	0.000
y	-1.076	4.003	0.000
z	0.000	0.000	1.417

<r²>	34.898
(<r²>)^1/2	5.907