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	hartrees
Energy at 0K	-168.644520
Energy at 298.15K	-168.645181
Nuclear repulsion energy	58.193303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3716	346.63
2	A'	2343	2253	637.43
3	A'	1289	1239	13.96
4	A'	586	563	4.94
5	A'	305	293	345.78
6	A"	593	570	0.15

Atom	x (Å)	y (Å)
H1	1.377	-1.577
N2	0.534	-1.038
C3	0.000	0.047
O4	-0.639	1.070

	H1	N2	C3	O4
H1		1.0006	2.1288	3.3272
N2	1.0006		1.2086	2.4121
C3	2.1288	1.2086		1.2065
O4	3.3272	2.4121	1.2065

Number	Element	Mulliken
1	H	0.350
2	N	-0.366
3	C	0.234
4	O	-0.218

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

using model chemistry: B3LYP/LANL2DZ

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
	2.495	-1.917	0.000	3.146
CHELPG
AIM
ESP

	x	y	z
x	2.088	-1.534	0.000
y	-1.534	4.055	0.000
z	0.000	0.000	1.196

<r²>	30.990
(<r²>)^1/2	5.567