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	hartrees
Energy at 0K	-168.628619
Energy at 298.15K	-168.629626
Nuclear repulsion energy	59.105731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3740	3571	152.97
2	A'	2390	2282	619.18
3	A'	1356	1295	0.35
4	A'	778	742	212.25
5	A'	559	534	85.73
6	A"	618	590	3.63

Atom	x (Å)	y (Å)
H1	1.436	-1.302
N2	0.456	-1.076
C3	0.000	0.050
O4	-0.579	1.067

	H1	N2	C3	O4
H1		1.0051	1.9715	3.1093
N2	1.0051		1.2147	2.3800
C3	1.9715	1.2147		1.1705
O4	3.1093	2.3800	1.1705

Number	Element	Mulliken
1	H	0.314
2	N	-0.580
3	C	0.654
4	O	-0.388

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

using model chemistry: B1B95/6-31G**

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
	2.097	-0.734	0.000	2.222
CHELPG
AIM
ESP

	x	y	z
x	2.204	-1.215	0.000
y	-1.215	3.781	0.000
z	0.000	0.000	1.301

<r²>	35.077
(<r²>)^1/2	5.923