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	hartrees
Energy at 0K	-166.390067
Energy at 298.15K	-166.390886
Nuclear repulsion energy	56.586178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3593	3206	27.51
2	A'	2315	2066	124.03
3	A'	1248	1113	1.61
4	A'	944	843	177.49
5	A'	489	436	25.19
6	A"	517	462	0.84

Atom	x (Å)	y (Å)
H1	1.942	-0.240
N2	0.995	-0.714
C3	0.000	0.085
O4	-1.113	0.591

	H1	N2	C3	O4
H1		1.0597	1.9695	3.1667
N2	1.0597		1.2760	2.4794
C3	1.9695	1.2760		1.2228
O4	3.1667	2.4794	1.2228

Number	Element	Mulliken
1	H	0.209
2	N	-0.321
3	C	0.249
4	O	-0.137

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

using model chemistry: B3LYP/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
	1.324	0.955	0.000	1.633
CHELPG
AIM
ESP

	x	y	z
x	2.874	-0.981	0.000
y	-0.981	1.208	0.000
z	0.000	0.000	0.416

<r²>	36.410
(<r²>)^1/2	6.034