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	hartrees
Energy at 0K	-165.502919
Energy at 298.15K	-165.503852
Nuclear repulsion energy	58.187580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3960	3233	62.79
2	A'	2510	2049	390.94
3	A'	1394	1138	1.00
4	A'	1043	852	253.34
5	A'	535	437	51.61
6	A"	580	473	7.35

Atom	x (Å)	y (Å)
H1	1.728	-0.785
N2	0.708	-0.964
C3	0.000	0.060
O4	-0.836	0.897

	H1	N2	C3	O4
H1		1.0354	1.9232	3.0658
N2	1.0354		1.2452	2.4182
C3	1.9232	1.2452		1.1828
O4	3.0658	2.4182	1.1828

Number	Element	Mulliken
1	H	0.203
2	N	-0.378
3	C	0.384
4	O	-0.208

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

using model chemistry: HF/STO-3G

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
	1.602	0.684	0.000	1.742
CHELPG
AIM
ESP

	x	y	z
x	2.046	-1.260	0.000
y	-1.260	1.847	0.000
z	0.000	0.000	0.376

<r²>	35.287
(<r²>)^1/2	5.940