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	hartrees
Energy at 0K	-167.823399
Energy at 298.15K	-167.824487
HF Energy	-167.823399
Nuclear repulsion energy	60.423818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3911	3554	242.49
2	A'	2473	2247	1212.18
3	A'	1464	1331	0.24
4	A'	814	740	200.15
5	A'	567	516	240.52
6	A"	723	657	27.12

Atom	x (Å)	y (Å)
H1	0.894	-1.694
N2	0.072	-1.141
C3	0.000	0.048
O4	-0.174	1.174

	H1	N2	C3	O4
H1		0.9912	1.9584	3.0609
N2	0.9912		1.1911	2.3280
C3	1.9584	1.1911		1.1394
O4	3.0609	2.3280	1.1394

Number	Element	Mulliken
1	H	0.270
2	N	-0.471
3	C	0.583
4	O	-0.382

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

using model chemistry: HF/TZVP

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
	1.895	-1.471	0.000	2.399
CHELPG
AIM
ESP

	x	y	z
x	1.671	-0.369	0.000
y	-0.369	4.485	0.000
z	0.000	0.000	1.543

<r²>	34.524
(<r²>)^1/2	5.876