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	hartrees
Energy at 0K	-505.965290
Energy at 298.15K	-505.972724
HF Energy	-505.965290
Nuclear repulsion energy	448.662340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3673	3487	0.00
2	A₁'	1917	1820	0.00
3	A₁'	999	949	0.00
4	A₁'	681	647	0.00
5	A₂'	1388	1317	0.00
6	A₂'	1258	1194	0.00
7	A₂'	627	595	0.00
8	A₂"	750	712	128.86
9	A₂"	675	640	295.00
10	A₂"	130	123	0.94
11	E'	3671	3485	162.87
11	E'	3671	3485	162.83
12	E'	1896	1800	926.19
12	E'	1896	1800	926.78
13	E'	1504	1428	359.21
13	E'	1504	1428	358.46
14	E'	1424	1352	46.50
14	E'	1424	1352	46.61
15	E'	1047	994	8.75
15	E'	1047	994	8.78
16	E'	516	489	22.78
16	E'	516	489	22.76
17	E'	392	372	26.46
17	E'	392	372	26.47
18	E"	754	716	0.00
18	E"	754	716	0.00
19	E"	605	574	0.00
19	E"	605	574	0.00
20	E"	152	144	0.00
20	E"	152	144	0.00

Atom	x (Å)	y (Å)
C1	1.238	0.715
C2	-1.238	0.715
C3	0.000	-1.430
N4	0.000	1.331
N5	-1.153	-0.666
N6	1.153	-0.666
O7	2.283	1.318
O8	-2.283	1.318
O9	0.000	-2.636
H10	0.000	2.341
H11	-2.027	-1.170
H12	2.027	-1.170

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4762	2.4762	1.3831	2.7609	1.3831	1.2060	3.5719	3.5719	2.0436	3.7704	2.0436
C2	2.4762		2.4762	1.3831	1.3831	2.7609	3.5719	1.2060	3.5719	2.0436	2.0436	3.7704
C3	2.4762	2.4762		2.7609	1.3831	1.3831	3.5719	3.5719	1.2060	3.7704	2.0436	2.0436
N4	1.3831	1.3831	2.7609		2.3058	2.3058	2.2825	2.2825	3.9669	1.0095	3.2198	3.2198
N5	2.7609	1.3831	1.3831	2.3058		2.3058	3.9669	2.2825	2.2825	3.2198	1.0095	3.2198
N6	1.3831	2.7609	1.3831	2.3058	2.3058		2.2825	3.9669	2.2825	3.2198	3.2198	1.0095
O7	1.2060	3.5719	3.5719	2.2825	3.9669	2.2825		4.5650	4.5650	2.5012	4.9763	2.5012
O8	3.5719	1.2060	3.5719	2.2825	2.2825	3.9669	4.5650		4.5650	2.5012	2.5012	4.9763
O9	3.5719	3.5719	1.2060	3.9669	2.2825	2.2825	4.5650	4.5650		4.9763	2.5012	2.5012
H10	2.0436	2.0436	3.7704	1.0095	3.2198	3.2198	2.5012	2.5012	4.9763		4.0542	4.0542
H11	3.7704	2.0436	2.0436	3.2198	1.0095	3.2198	4.9763	2.5012	2.5012	4.0542		4.0542
H12	2.0436	3.7704	2.0436	3.2198	3.2198	1.0095	2.5012	4.9763	2.5012	4.0542	4.0542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.064	C1	N4	H10	116.468
C1	N6	C3	127.064	C1	N6	H12	116.468
C2	N4	H10	116.468	C2	N5	C3	127.064
C2	N5	H11	116.468	C3	N5	H11	116.468
C3	N6	H12	116.468	N4	C1	N6	112.936
N4	C1	O7	123.532	N4	C2	N5	112.936
N4	C2	O8	123.532	N5	C2	O8	123.532
N5	C3	N6	112.936	N5	C3	O9	123.532
N6	C1	O7	123.532	N6	C3	O9	123.532

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

using model chemistry: B1B95/6-31G*

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: B1B95/6-31G*

States and conformations

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