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	hartrees
Energy at 0K	-168.547987
Energy at 298.15K	-168.548993
Nuclear repulsion energy	58.779685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3616	3578	104.98
2	A'	2313	2289	539.94
3	A'	1298	1284	0.58
4	A'	787	779	220.32
5	A'	562	556	61.95
6	A"	610	604	0.83

Atom	x (Å)	y (Å)
H1	1.519	-1.233
N2	0.523	-1.051
C3	0.000	0.052
O4	-0.647	1.035

	H1	N2	C3	O4
H1		1.0127	1.9896	3.1362
N2	1.0127		1.2209	2.3919
C3	1.9896	1.2209		1.1769
O4	3.1362	2.3919	1.1769

Number	Element	Mulliken
1	H	0.353
2	N	-0.564
3	C	0.443
4	O	-0.232

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

using model chemistry: PBEPBE/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
	2.145	-0.618	0.000	2.233
CHELPG
AIM
ESP

	x	y	z
x	2.466	-1.330	0.000
y	-1.330	3.821	0.000
z	0.000	0.000	1.460

<r²>	35.489
(<r²>)^1/2	5.957