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	hartrees
Energy at 0K	-505.733721
Energy at 298.15K	-505.740970
HF Energy	-505.733721
Nuclear repulsion energy	444.397968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3559	3522	0.00
2	A₁'	1806	1787	0.00
3	A₁'	964	954	0.00
4	A₁'	645	638	0.00
5	A₂'	1347	1333	0.00
6	A₂'	1156	1144	0.00
7	A₂'	608	601	0.00
8	A₂"	730	723	98.57
9	A₂"	663	656	257.43
10	A₂"	122	121	1.25
11	E'	3557	3520	110.03
11	E'	3557	3520	110.03
12	E'	1790	1771	845.86
12	E'	1790	1771	845.74
13	E'	1415	1401	230.62
13	E'	1415	1401	230.63
14	E'	1371	1357	117.22
14	E'	1371	1357	117.24
15	E'	1000	989	10.74
15	E'	1000	989	10.73
16	E'	500	495	25.56
16	E'	500	495	25.56
17	E'	378	374	20.48
17	E'	378	374	20.48
18	E"	728	720	0.00
18	E"	728	720	0.00
19	E"	589	583	0.00
19	E"	589	583	0.00
20	E"	144	142	0.00
20	E"	144	142	0.00

Atom	x (Å)	y (Å)
C1	1.253	0.723
C2	-1.253	0.723
C3	0.000	-1.446
N4	0.000	1.343
N5	-1.163	-0.671
N6	1.163	-0.671
O7	2.305	1.331
O8	-2.305	1.331
O9	0.000	-2.662
H10	0.000	2.360
H11	-2.044	-1.180
H12	2.044	-1.180

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5051	2.5051	1.3974	2.7891	1.3974	1.2153	3.6091	3.6091	2.0610	3.8062	2.0610
C2	2.5051		2.5051	1.3974	1.3974	2.7891	3.6091	1.2153	3.6091	2.0610	2.0610	3.8062
C3	2.5051	2.5051		2.7891	1.3974	1.3974	3.6091	3.6091	1.2153	3.8062	2.0610	2.0610
N4	1.3974	1.3974	2.7891		2.3257	2.3257	2.3051	2.3051	4.0044	1.0171	3.2466	3.2466
N5	2.7891	1.3974	1.3974	2.3257		2.3257	4.0044	2.3051	2.3051	3.2466	1.0171	3.2466
N6	1.3974	2.7891	1.3974	2.3257	2.3257		2.3051	4.0044	2.3051	3.2466	3.2466	1.0171
O7	1.2153	3.6091	3.6091	2.3051	4.0044	2.3051		4.6101	4.6101	2.5243	5.0214	2.5243
O8	3.6091	1.2153	3.6091	2.3051	2.3051	4.0044	4.6101		4.6101	2.5243	2.5243	5.0214
O9	3.6091	3.6091	1.2153	4.0044	2.3051	2.3051	4.6101	4.6101		5.0214	2.5243	2.5243
H10	2.0610	2.0610	3.8062	1.0171	3.2466	3.2466	2.5243	2.5243	5.0214		4.0873	4.0873
H11	3.8062	2.0610	2.0610	3.2466	1.0171	3.2466	5.0214	2.5243	2.5243	4.0873		4.0873
H12	2.0610	3.8062	2.0610	3.2466	3.2466	1.0171	2.5243	5.0214	2.5243	4.0873	4.0873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.361	C1	N4	H10	116.320
C1	N6	C3	127.361	C1	N6	H12	116.320
C2	N4	H10	116.320	C2	N5	C3	127.361
C2	N5	H11	116.320	C3	N5	H11	116.320
C3	N6	H12	116.320	N4	C1	N6	112.639
N4	C1	O7	123.680	N4	C2	N5	112.639
N4	C2	O8	123.680	N5	C2	O8	123.680
N5	C3	N6	112.639	N5	C3	O9	123.680
N6	C1	O7	123.680	N6	C3	O9	123.680

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

using model chemistry: PBEPBE/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: PBEPBE/6-311G*

States and conformations

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