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	hartrees
Energy at 0K	-168.598519
Energy at 298.15K	-168.599450
Nuclear repulsion energy	58.126972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3838	3653	172.17
2	A'	2415	2298	145.21
3	A'	1227	1167	92.10
4	A'	1128	1073	82.84
5	A'	454	433	16.22
6	A"	515	490	2.71

Atom	x (Å)	y (Å)
N1	0.056	1.338
C2	0.000	0.178
O3	-0.139	-1.110
H4	0.723	-1.549

	N1	C2	O3	H4
N1		1.1618	2.4562	2.9629
C2	1.1618		1.2956	1.8716
O3	2.4562	1.2956		0.9667
H4	2.9629	1.8716	0.9667

Number	Element	Mulliken
1	N	-0.327
2	C	0.459
3	O	-0.531
4	H	0.399

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

using model chemistry: mPW1PW91/6-31+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
	1.544	-3.720	0.000	4.028
CHELPG
AIM
ESP

	x	y	z
x	2.027	-0.014	0.000
y	-0.014	4.641	0.000
z	0.000	0.000	1.884

<r²>	0.000
(<r²>)^1/2	0.000