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	hartrees
Energy at 0K	-168.642072
Energy at 298.15K	-168.643081
Nuclear repulsion energy	59.124244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3760	3578	184.59
2	A'	2376	2262	764.63
3	A'	1358	1293	0.44
4	A'	751	715	206.20
5	A'	566	539	105.86
6	A"	628	598	2.72

Atom	x (Å)	y (Å)
H1	1.439	-1.313
N2	0.464	-1.071
C3	0.000	0.051
O4	-0.586	1.063

	H1	N2	C3	O4
H1		1.0047	1.9822	3.1217
N2	1.0047		1.2138	2.3786
C3	1.9822	1.2138		1.1700
O4	3.1217	2.3786	1.1700

Number	Element	Mulliken
1	H	0.341
2	N	-0.535
3	C	0.621
4	O	-0.427

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

using model chemistry: mPW1PW91/6-31+G**

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
	2.211	-0.792	0.000	2.349
CHELPG
AIM
ESP

<r²>	35.446
(<r²>)^1/2	5.954