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	hartrees
Energy at 0K	-168.586727
Energy at 298.15K	-168.587656
HF Energy	-168.586727
Nuclear repulsion energy	58.129402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3867	3684	176.99
2	A'	2420	2305	148.50
3	A'	1231	1172	96.34
4	A'	1129	1076	81.47
5	A'	450	428	16.73
6	A"	511	486	3.42

Atom	x (Å)	y (Å)
N1	-0.119	1.332
C2	0.000	0.180
O3	-0.007	-1.117
H4	0.891	-1.471

	N1	C2	O3	H4
N1		1.1591	2.4517	2.9799
C2	1.1591		1.2962	1.8756
O3	2.4517	1.2962		0.9653
H4	2.9799	1.8756	0.9653

Number	Element	Mulliken
1	N	-0.325
2	C	0.462
3	O	-0.539
4	H	0.402

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

using model chemistry: wB97X-D/cc-pVDZ

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
	1.540	-3.730	0.000	4.035
CHELPG
AIM
ESP

	x	y	z
x	2.030	0.004	0.000
y	0.004	4.639	0.000
z	0.000	0.000	1.889

<r²>	36.313
(<r²>)^1/2	6.026