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	hartrees
Energy at 0K	-505.948537
Energy at 298.15K	-505.956030
HF Energy	-505.948537
Nuclear repulsion energy	448.004386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3661	3479	0.00
2	A₁'	1934	1838	0.00
3	A₁'	998	948	0.00
4	A₁'	686	652	0.00
5	A₂'	1380	1311	0.00
6	A₂'	1250	1188	0.00
7	A₂'	639	607	0.00
8	A₂"	757	719	109.03
9	A₂"	656	623	324.00
10	A₂"	132	125	0.63
11	E'	3658	3476	193.16
11	E'	3658	3476	193.72
12	E'	1909	1814	1004.87
12	E'	1908	1814	1003.61
13	E'	1509	1435	404.81
13	E'	1509	1434	404.61
14	E'	1415	1345	43.98
14	E'	1414	1344	44.28
15	E'	1046	994	10.46
15	E'	1046	994	10.40
16	E'	522	496	24.07
16	E'	521	495	24.09
17	E'	400	381	27.36
17	E'	400	380	26.96
18	E"	759	721	0.03
18	E"	759	721	0.03
19	E"	591	562	0.00
19	E"	591	562	0.00
20	E"	157	150	0.00
20	E"	157	150	0.00

Atom	x (Å)	y (Å)
C1	1.240	0.716
C2	-1.240	0.716
C3	0.000	-1.432
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.284	1.318
O8	-2.284	1.318
O9	0.000	-2.637
H10	0.000	2.348
H11	-2.033	-1.174
H12	2.033	-1.174

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4808	2.4808	1.3869	2.7688	1.3869	1.2046	3.5751	3.5751	2.0496	3.7801	2.0496
C2	2.4808		2.4808	1.3869	1.3869	2.7688	3.5751	1.2046	3.5751	2.0496	2.0496	3.7801
C3	2.4808	2.4808		2.7688	1.3869	1.3869	3.5751	3.5751	1.2046	3.7801	2.0496	2.0496
N4	1.3869	1.3869	2.7688		2.3148	2.3148	2.2837	2.2837	3.9734	1.0113	3.2305	3.2305
N5	2.7688	1.3869	1.3869	2.3148		2.3148	3.9734	2.2837	2.2837	3.2305	1.0113	3.2305
N6	1.3869	2.7688	1.3869	2.3148	2.3148		2.2837	3.9734	2.2837	3.2305	3.2305	1.0113
O7	1.2046	3.5751	3.5751	2.2837	3.9734	2.2837		4.5673	4.5673	2.5049	4.9847	2.5049
O8	3.5751	1.2046	3.5751	2.2837	2.2837	3.9734	4.5673		4.5673	2.5049	2.5049	4.9847
O9	3.5751	3.5751	1.2046	3.9734	2.2837	2.2837	4.5673	4.5673		4.9847	2.5049	2.5049
H10	2.0496	2.0496	3.7801	1.0113	3.2305	3.2305	2.5049	2.5049	4.9847		4.0664	4.0664
H11	3.7801	2.0496	2.0496	3.2305	1.0113	3.2305	4.9847	2.5049	2.5049	4.0664		4.0664
H12	2.0496	3.7801	2.0496	3.2305	3.2305	1.0113	2.5049	4.9847	2.5049	4.0664	4.0664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.862	C1	N4	H10	116.569
C1	N6	C3	126.862	C1	N6	H12	116.569
C2	N4	H10	116.569	C2	N5	C3	126.862
C2	N5	H11	116.569	C3	N5	H11	116.569
C3	N6	H12	116.569	N4	C1	N6	113.138
N4	C1	O7	123.431	N4	C2	N5	113.138
N4	C2	O8	123.431	N5	C2	O8	123.431
N5	C3	N6	113.138	N5	C3	O9	123.431
N6	C1	O7	123.431	N6	C3	O9	123.431

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

using model chemistry: M06-2X/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: M06-2X/6-31G**

States and conformations

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