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	hartrees
Energy at 0K	-167.831460
Energy at 298.15K	-167.832593
Nuclear repulsion energy	60.357541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3878	3529	194.41
2	A'	2456	2236	1118.53
3	A'	1444	1315	0.04
4	A'	891	811	232.39
5	A'	602	548	148.42
6	A"	725	660	21.65

Atom	x (Å)	y (Å)
H1	0.895	-1.660
N2	0.044	-1.148
C3	0.000	0.048
O4	-0.151	1.177

	H1	N2	C3	O4
H1		0.9925	1.9280	3.0232
N2	0.9925		1.1967	2.3329
C3	1.9280	1.1967		1.1388
O4	3.0232	2.3329	1.1388

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.230	0.373	0.515	0.375
2	N	-0.351	-0.733	-1.598	-0.712
3	C	0.391	0.798	2.459	0.751
4	O	-0.270	-0.439	-1.378	-0.415

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

using model chemistry: HF/cc-pVTZ

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
	1.701	-1.285	0.000	2.132
CHELPG
AIM	-0.437	0.475	0.000	0.646
ESP	1.754	-1.249	0.000	2.154

	x	y	z
x	1.940	-0.309	0.000
y	-0.309	4.258	0.000
z	0.000	0.000	1.770

<r²>	34.380
(<r²>)^1/2	5.863