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	hartrees
Energy at 0K	-168.597728
Energy at 298.15K	-168.598654
Nuclear repulsion energy	58.065777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3625	157.34
2	A'	2411	2318	120.47
3	A'	1251	1203	90.86
4	A'	1118	1075	65.38
5	A'	448	431	13.98
6	A"	508	488	3.30

Atom	x (Å)	y (Å)
N1	0.096	1.336
C2	0.000	0.177
O3	-0.171	-1.109
H4	0.697	-1.543

	N1	C2	O3	H4
N1		1.1629	2.4598	2.9417
C2	1.1629		1.2976	1.8565
O3	2.4598	1.2976		0.9706
H4	2.9417	1.8565	0.9706

Number	Element	Mulliken
1	N	-0.176
2	C	0.092
3	O	-0.122
4	H	0.206

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

using model chemistry: B1B95/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
	1.346	-3.589	0.000	3.833
CHELPG
AIM
ESP

	x	y	z
x	1.730	-0.014	0.000
y	-0.014	3.966	0.000
z	0.000	0.000	1.475

<r²>	0.000
(<r²>)^1/2	0.000