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	hartrees
Energy at 0K	-506.105174
Energy at 298.15K	-506.112675
HF Energy	-506.105174
Nuclear repulsion energy	449.738406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3672	3525	0.00
2	A₁'	1899	1823	0.00
3	A₁'	999	959	0.00
4	A₁'	678	651	0.00
5	A₂'	1388	1333	0.00
6	A₂'	1241	1192	0.00
7	A₂'	634	609	0.00
8	A₂"	778	747	112.17
9	A₂"	670	643	249.05
10	A₂"	132	127	2.23
11	E'	3669	3523	163.52
11	E'	3669	3523	163.45
12	E'	1879	1804	1000.78
12	E'	1878	1804	1001.41
13	E'	1495	1435	349.24
13	E'	1495	1435	348.70
14	E'	1418	1361	68.12
14	E'	1418	1361	68.16
15	E'	1043	1001	11.36
15	E'	1043	1001	11.39
16	E'	516	495	23.97
16	E'	516	495	23.93
17	E'	396	381	26.43
17	E'	396	381	26.43
18	E"	765	735	0.00
18	E"	765	735	0.00
19	E"	600	576	0.00
19	E"	600	576	0.00
20	E"	146	140	0.00
20	E"	146	140	0.00

Atom	x (Å)	y (Å)
C1	1.237	0.714
C2	-1.237	0.714
C3	0.000	-1.428
N4	0.000	1.330
N5	-1.152	-0.665
N6	1.152	-0.665
O7	2.276	1.314
O8	-2.276	1.314
O9	0.000	-2.628
H10	0.000	2.337
H11	-2.024	-1.169
H12	2.024	-1.169

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4734	2.4734	1.3816	2.7580	1.3816	1.1995	3.5630	3.5630	2.0406	3.7652	2.0406
C2	2.4734		2.4734	1.3816	1.3816	2.7580	3.5630	1.1995	3.5630	2.0406	2.0406	3.7652
C3	2.4734	2.4734		2.7580	1.3816	1.3816	3.5630	3.5630	1.1995	3.7652	2.0406	2.0406
N4	1.3816	1.3816	2.7580		2.3036	2.3036	2.2756	2.2756	3.9575	1.0072	3.2155	3.2155
N5	2.7580	1.3816	1.3816	2.3036		2.3036	3.9575	2.2756	2.2756	3.2155	1.0072	3.2155
N6	1.3816	2.7580	1.3816	2.3036	2.3036		2.2756	3.9575	2.2756	3.2155	3.2155	1.0072
O7	1.1995	3.5630	3.5630	2.2756	3.9575	2.2756		4.5510	4.5510	2.4951	4.9647	2.4950
O8	3.5630	1.1995	3.5630	2.2756	2.2756	3.9575	4.5510		4.5510	2.4951	2.4950	4.9647
O9	3.5630	3.5630	1.1995	3.9575	2.2756	2.2756	4.5510	4.5510		4.9647	2.4950	2.4950
H10	2.0406	2.0406	3.7652	1.0072	3.2155	3.2155	2.4951	2.4951	4.9647		4.0481	4.0481
H11	3.7652	2.0406	2.0406	3.2155	1.0072	3.2155	4.9647	2.4950	2.4950	4.0481		4.0481
H12	2.0406	3.7652	2.0406	3.2155	3.2155	1.0072	2.4950	4.9647	2.4950	4.0481	4.0481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.047	C1	N4	H10	116.477
C1	N6	C3	127.047	C1	N6	H12	116.477
C2	N4	H10	116.477	C2	N5	C3	127.047
C2	N5	H11	116.477	C3	N5	H11	116.477
C3	N6	H12	116.477	N4	C1	N6	112.953
N4	C1	O7	123.523	N4	C2	N5	112.953
N4	C2	O8	123.523	N5	C2	O8	123.523
N5	C3	N6	112.953	N5	C3	O9	123.523
N6	C1	O7	123.523	N6	C3	O9	123.523

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

using model chemistry: B1B95/6-311G**

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: B1B95/6-311G**

States and conformations

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