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	hartrees
Energy at 0K	-504.925810
Energy at 298.15K	-504.933036
HF Energy	-503.425039
Nuclear repulsion energy	443.967484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3644	3516
2	A₁'	1836	1771
3	A₁'	983	949
4	A₁'	653	630
5	A₂'	1371	1323
6	A₂'	1238	1195
7	A₂'	619	597
8	A₂"	731	705
9	A₂"	652	629
10	A₂"	98	95
11	E'	3644	3516
11	E'	3643	3516
12	E'	1835	1771
12	E'	1835	1771
13	E'	1471	1419
13	E'	1471	1419
14	E'	1396	1347
14	E'	1395	1347
15	E'	1029	993
15	E'	1028	993
16	E'	506	489
16	E'	505	488
17	E'	385	371
17	E'	384	371
18	E"	739	713
18	E"	739	713
19	E"	577	557
19	E"	575	555
20	E"	127	123
20	E"	127	122

Atom	x (Å)	y (Å)
C1	1.252	0.723
C2	-1.252	0.723
C3	0.000	-1.446
N4	0.000	1.343
N5	-1.163	-0.672
N6	1.163	-0.672
O7	2.308	1.333
O8	-2.308	1.333
O9	0.000	-2.665
H10	0.000	2.361
H11	-2.045	-1.180
H12	2.045	-1.180

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5046	2.5046	1.3975	2.7894	1.3975	1.2191	3.6122	3.6122	2.0617	3.8068	2.0617
C2	2.5046		2.5046	1.3975	1.3975	2.7894	3.6122	1.2191	3.6122	2.0617	2.0617	3.8068
C3	2.5046	2.5046		2.7894	1.3975	1.3975	3.6122	3.6122	1.2191	3.8068	2.0617	2.0617
N4	1.3975	1.3975	2.7894		2.3268	2.3268	2.3081	2.3081	4.0086	1.0174	3.2480	3.2480
N5	2.7894	1.3975	1.3975	2.3268		2.3268	4.0086	2.3081	2.3081	3.2480	1.0174	3.2480
N6	1.3975	2.7894	1.3975	2.3268	2.3268		2.3081	4.0086	2.3081	3.2480	3.2480	1.0174
O7	1.2191	3.6122	3.6122	2.3081	4.0086	2.3081		4.6162	4.6162	2.5268	5.0260	2.5268
O8	3.6122	1.2191	3.6122	2.3081	2.3081	4.0086	4.6162		4.6162	2.5268	2.5268	5.0260
O9	3.6122	3.6122	1.2191	4.0086	2.3081	2.3081	4.6162	4.6162		5.0260	2.5268	2.5268
H10	2.0617	2.0617	3.8068	1.0174	3.2480	3.2480	2.5268	2.5268	5.0260		4.0890	4.0890
H11	3.8068	2.0617	2.0617	3.2480	1.0174	3.2480	5.0260	2.5268	2.5268	4.0890		4.0890
H12	2.0617	3.8068	2.0617	3.2480	3.2480	1.0174	2.5268	5.0260	2.5268	4.0890	4.0890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.294	C1	N4	H10	116.353
C1	N6	C3	127.294	C1	N6	H12	116.353
C2	N4	H10	116.353	C2	N5	C3	127.294
C2	N5	H11	116.353	C3	N5	H11	116.353
C3	N6	H12	116.353	N4	C1	N6	112.706
N4	C1	O7	123.647	N4	C2	N5	112.706
N4	C2	O8	123.647	N5	C2	O8	123.647
N5	C3	N6	112.706	N5	C3	O9	123.647
N6	C1	O7	123.647	N6	C3	O9	123.647

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

using model chemistry: MP4=FULL/cc-pVDZ

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: MP4=FULL/cc-pVDZ

States and conformations

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