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	hartrees
Energy at 0K	-168.577304
Energy at 298.15K	-168.578224
Nuclear repulsion energy	58.000075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3805	3653	163.75
2	A'	2392	2297	140.26
3	A'	1219	1170	90.25
4	A'	1116	1071	82.93
5	A'	449	431	15.88
6	A"	508	488	2.29

Atom	x (Å)	y (Å)
N1	0.048	1.341
C2	0.000	0.178
O3	-0.134	-1.113
H4	0.732	-1.548

	N1	C2	O3	H4
N1		1.1645	2.4615	2.9695
C2	1.1645		1.2982	1.8750
O3	2.4615	1.2982		0.9690
H4	2.9695	1.8750	0.9690

Number	Element	Mulliken
1	N	-0.332
2	C	0.460
3	O	-0.524
4	H	0.396

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

using model chemistry: B3PW91/6-31+G**

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
	1.560	-3.708	0.000	4.023
CHELPG
AIM
ESP

	x	y	z
x	2.035	-0.030	0.000
y	-0.030	4.687	0.000
z	0.000	0.000	1.890

<r²>	0.000
(<r²>)^1/2	0.000