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	hartrees
Energy at 0K	-167.621707
Energy at 298.15K	-167.622626
HF Energy	-167.621707
Nuclear repulsion energy	57.362930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3555	3367	114.32
2	A'	2398	2271	56.17
3	A'	1258	1191	109.11
4	A'	1050	995	92.81
5	A'	471	446	21.36
6	A"	493	467	7.08

Atom	x (Å)	y (Å)
N1	0.147	1.345
C2	0.000	0.190
O3	-0.209	-1.115
H4	0.638	-1.636

	N1	C2	O3	H4
N1		1.1637	2.4852	3.0210
C2	1.1637		1.3219	1.9349
O3	2.4852	1.3219		0.9945
H4	3.0210	1.9349	0.9945

Number	Element	Mulliken
1	N	-0.381
2	C	0.557
3	O	-0.600
4	H	0.424

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

using model chemistry: M06-2X/3-21G*

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
	1.633	-3.426	0.000	3.796
CHELPG
AIM
ESP

	x	y	z
x	1.348	0.005	0.000
y	0.005	3.784	0.000
z	0.000	0.000	0.976

<r²>	36.823
(<r²>)^1/2	6.068