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	hartrees
Energy at 0K	-168.563150
Energy at 298.15K	-168.564050
Nuclear repulsion energy	57.953284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3574	135.17
2	A'	2402	2298	112.60
3	A'	1253	1199	111.50
4	A'	1117	1069	65.89
5	A'	440	421	15.75
6	A"	497	475	3.61

Atom	x (Å)	y (Å)
N1	0.071	1.341
C2	0.000	0.178
O3	-0.151	-1.113
H4	0.717	-1.550

	N1	C2	O3	H4
N1		1.1646	2.4637	2.9622
C2	1.1646		1.3000	1.8712
O3	2.4637	1.3000		0.9722
H4	2.9622	1.8712	0.9722

Number	Element	Mulliken
1	N	-0.405
2	C	0.493
3	O	-0.557
4	H	0.469

All results from a given calculation for HOCN (cyanic acid)

using model chemistry: B3PW91/6-31G*

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
	1.511	-3.634	0.000	3.936
CHELPG
AIM
ESP

	x	y	z
x	1.658	-0.046	0.000
y	-0.046	4.081	0.000
z	0.000	0.000	1.395

<r²>	0.000
(<r²>)^1/2	0.000