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	hartrees
Energy at 0K	-506.097180
Energy at 298.15K	-506.104691
HF Energy	-506.097180
Nuclear repulsion energy	449.751336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3682	3530	0.00
2	A₁'	1900	1821	0.00
3	A₁'	1000	959	0.00
4	A₁'	678	650	0.00
5	A₂'	1405	1347	0.00
6	A₂'	1244	1192	0.00
7	A₂'	634	607	0.00
8	A₂"	780	748	144.61
9	A₂"	682	654	257.66
10	A₂"	133	127	1.79
11	E'	3680	3528	138.18
11	E'	3680	3528	138.11
12	E'	1881	1803	1010.45
12	E'	1881	1803	1011.07
13	E'	1499	1437	322.47
13	E'	1499	1437	321.91
14	E'	1431	1372	91.26
14	E'	1431	1372	91.31
15	E'	1047	1003	11.44
15	E'	1047	1003	11.47
16	E'	516	495	24.29
16	E'	516	495	24.25
17	E'	396	379	26.68
17	E'	396	379	26.68
18	E"	768	737	0.00
18	E"	768	737	0.00
19	E"	613	588	0.00
19	E"	613	588	0.00
20	E"	148	142	0.00
20	E"	148	142	0.00

Atom	x (Å)	y (Å)
C1	1.237	0.714
C2	-1.237	0.714
C3	0.000	-1.428
N4	0.000	1.330
N5	-1.152	-0.665
N6	1.152	-0.665
O7	2.275	1.314
O8	-2.275	1.314
O9	0.000	-2.628
H10	0.000	2.337
H11	-2.024	-1.168
H12	2.024	-1.168

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4733	2.4733	1.3816	2.7580	1.3816	1.1996	3.5630	3.5630	2.0401	3.7645	2.0401
C2	2.4733		2.4733	1.3816	1.3816	2.7580	3.5630	1.1996	3.5630	2.0401	2.0401	3.7645
C3	2.4733	2.4733		2.7580	1.3816	1.3816	3.5630	3.5630	1.1996	3.7645	2.0401	2.0401
N4	1.3816	1.3816	2.7580		2.3037	2.3037	2.2755	2.2755	3.9575	1.0066	3.2150	3.2150
N5	2.7580	1.3816	1.3816	2.3037		2.3037	3.9575	2.2755	2.2755	3.2150	1.0066	3.2150
N6	1.3816	2.7580	1.3816	2.3037	2.3037		2.2755	3.9575	2.2755	3.2150	3.2150	1.0066
O7	1.1996	3.5630	3.5630	2.2755	3.9575	2.2755		4.5510	4.5510	2.4948	4.9641	2.4948
O8	3.5630	1.1996	3.5630	2.2755	2.2755	3.9575	4.5510		4.5510	2.4948	2.4948	4.9641
O9	3.5630	3.5630	1.1996	3.9575	2.2755	2.2755	4.5510	4.5510		4.9641	2.4948	2.4948
H10	2.0401	2.0401	3.7645	1.0066	3.2150	3.2150	2.4948	2.4948	4.9641		4.0471	4.0471
H11	3.7645	2.0401	2.0401	3.2150	1.0066	3.2150	4.9641	2.4948	2.4948	4.0471		4.0471
H12	2.0401	3.7645	2.0401	3.2150	3.2150	1.0066	2.4948	4.9641	2.4948	4.0471	4.0471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.038	C1	N4	H10	116.481
C1	N6	C3	127.038	C1	N6	H12	116.481
C2	N4	H10	116.481	C2	N5	C3	127.038
C2	N5	H11	116.481	C3	N5	H11	116.481
C3	N6	H12	116.481	N4	C1	N6	112.962
N4	C1	O7	123.519	N4	C2	N5	112.962
N4	C2	O8	123.519	N5	C2	O8	123.519
N5	C3	N6	112.962	N5	C3	O9	123.519
N6	C1	O7	123.519	N6	C3	O9	123.519

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)

using model chemistry: B1B95/6-311G*

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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All results from a given calculation for C3H3N3O3 (cyanuric acid)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₃H₃N₃O₃ (cyanuric acid)