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	hartrees
Energy at 0K	-505.343194
Energy at 298.15K	-505.350860
HF Energy	-505.009417
Nuclear repulsion energy	441.595607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3653	3653	0.00
2	A₁'	1758	1758	0.01
3	A₁'	1001	1001	0.00
4	A₁'	659	659	0.00
5	A₂'	1447	1447	0.00
6	A₂'	1245	1245	0.00
7	A₂'	622	622	0.00
8	A₂"	809	809	481.19
9	A₂"	698	698	110.30
10	A₂"	166	166	5.25
11	E'	3650	3650	145.11
11	E'	3650	3650	145.09
12	E'	1765	1765	799.79
12	E'	1765	1765	799.74
13	E'	1442	1442	269.14
13	E'	1442	1442	268.26
14	E'	1432	1432	95.79
14	E'	1432	1432	96.64
15	E'	1036	1036	9.62
15	E'	1036	1036	9.62
16	E'	524	524	25.73
16	E'	524	524	25.73
17	E'	384	384	23.96
17	E'	384	384	23.96
18	E"	763	763	0.00
18	E"	763	763	0.00
19	E"	671	671	0.00
19	E"	671	671	0.00
20	E"	172	172	0.00
20	E"	172	172	0.00

Atom	x (Å)	y (Å)
C1	1.250	0.722
C2	-1.250	0.722
C3	0.000	-1.443
N4	0.000	1.348
N5	-1.168	-0.674
N6	1.168	-0.674
O7	2.326	1.343
O8	-2.326	1.343
O9	0.000	-2.686
H10	0.000	2.359
H11	-2.043	-1.180
H12	2.043	-1.180

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4998	2.4997	1.3981	2.7914	1.3981	1.2424	3.6292	3.6292	2.0601	3.8024	2.0601
C2	2.4998		2.4997	1.3981	1.3981	2.7914	3.6292	1.2424	3.6292	2.0601	2.0601	3.8024
C3	2.4997	2.4997		2.7914	1.3981	1.3981	3.6292	3.6292	1.2424	3.8024	2.0601	2.0601
N4	1.3981	1.3981	2.7914		2.3351	2.3351	2.3258	2.3258	4.0338	1.0110	3.2502	3.2502
N5	2.7914	1.3981	1.3981	2.3351		2.3351	4.0338	2.3258	2.3258	3.2502	1.0110	3.2502
N6	1.3981	2.7914	1.3981	2.3351	2.3351		2.3258	4.0338	2.3258	3.2502	3.2502	1.0110
O7	1.2424	3.6292	3.6292	2.3258	4.0338	2.3258		4.6516	4.6516	2.5382	5.0448	2.5382
O8	3.6292	1.2424	3.6292	2.3258	2.3258	4.0338	4.6516		4.6516	2.5382	2.5382	5.0448
O9	3.6292	3.6292	1.2424	4.0338	2.3258	2.3258	4.6516	4.6516		5.0448	2.5382	2.5382
H10	2.0601	2.0601	3.8024	1.0110	3.2502	3.2502	2.5382	2.5382	5.0448		4.0863	4.0863
H11	3.8024	2.0601	2.0601	3.2502	1.0110	3.2502	5.0448	2.5382	2.5382	4.0863		4.0863
H12	2.0601	3.8024	2.0601	3.2502	3.2502	1.0110	2.5382	5.0448	2.5382	4.0863	4.0863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.752	C1	N4	H10	116.624
C1	N6	C3	126.752	C1	N6	H12	116.624
C2	N4	H10	116.624	C2	N5	C3	126.752
C2	N5	H11	116.624	C3	N5	H11	116.624
C3	N6	H12	116.624	N4	C1	N6	113.248
N4	C1	O7	123.376	N4	C2	N5	113.248
N4	C2	O8	123.376	N5	C2	O8	123.376
N5	C3	N6	113.248	N5	C3	O9	123.376
N6	C1	O7	123.376	N6	C3	O9	123.376

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G

States and conformations

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