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	hartrees
Energy at 0K	-168.582077
Energy at 298.15K	-168.583048
Nuclear repulsion energy	58.210479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3800	3654	144.75
2	A'	2402	2310	115.62
3	A'	1245	1197	91.10
4	A'	1119	1076	69.41
5	A'	479	460	14.98
6	A"	539	518	5.13

Atom	x (Å)	y (Å)
N1	0.087	1.334
C2	0.000	0.178
O3	-0.163	-1.107
H4	0.696	-1.550

	N1	C2	O3	H4
N1		1.1592	2.4533	2.9475
C2	1.1592		1.2949	1.8627
O3	2.4533	1.2949		0.9662
H4	2.9475	1.8627	0.9662

Number	Element	Mulliken
1	N	-0.395
2	C	0.422
3	O	-0.390
4	H	0.363

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

using model chemistry: B3PW91/6-31G(2df,p)

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
	1.303	-3.699	0.000	3.922
CHELPG
AIM
ESP

	x	y	z
x	1.971	-0.028	0.000
y	-0.028	4.127	0.000
z	0.000	0.000	1.772

<r²>	0.000
(<r²>)^1/2	0.000