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	hartrees
Energy at 0K	-168.676508
Energy at 298.15K	-168.677536
Nuclear repulsion energy	59.452701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3573	160.50
2	A'	2389	2294	686.87
3	A'	1355	1301	0.45
4	A'	774	743	192.68
5	A'	565	542	102.85
6	A"	639	614	4.69

Atom	x (Å)	y (Å)
H1	1.319	-1.412
N2	0.364	-1.104
C3	0.000	0.049
O4	-0.483	1.105

	H1	N2	C3	O4
H1		1.0039	1.9681	3.0958
N2	1.0039		1.2085	2.3657
C3	1.9681	1.2085		1.1617
O4	3.0958	2.3657	1.1617

Number	Element	Mulliken
1	H	0.255
2	N	-0.459
3	C	0.471
4	O	-0.267

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

using model chemistry: B1B95/6-311G**

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
	2.006	-0.911	0.000	2.203
CHELPG
AIM
ESP

	x	y	z
x	2.071	-1.045	0.000
y	-1.045	4.034	0.000
z	0.000	0.000	1.441

<r²>	34.898
(<r²>)^1/2	5.907