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	hartrees
Energy at 0K	-504.812572
Energy at 298.15K
HF Energy	-503.404081
Nuclear repulsion energy	445.478477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3684	3465	0.00
2	A₁'	1839	1730	0.00
3	A₁'	989	931	0.00
4	A₁'	668	628	0.00
5	A₂'	1399	1316	0.00
6	A₂'	1259	1184	0.00
7	A₂'	621	584	0.00
8	A₂"	659	620	94.76
9	A₂"	545	513	278.95
10	A₂"	127i	120i	4.21
11	E'	3682	3464	180.18
11	E'	3682	3464	180.18
12	E'	1833	1724	1071.45
12	E'	1833	1724	1071.45
13	E'	1486	1398	363.29
13	E'	1486	1398	363.29
14	E'	1418	1333	74.98
14	E'	1418	1333	74.98
15	E'	1047	985	21.17
15	E'	1047	985	21.17
16	E'	517	486	22.37
16	E'	517	486	22.37
17	E'	386	364	25.50
17	E'	386	364	25.50
18	E"	698	656	0.00
18	E"	698	656	0.00
19	E"	537	505	0.00
19	E"	537	505	0.00
20	E"	105	99	0.00
20	E"	105	99	0.00

Atom	x (Å)	y (Å)
C1	1.243	0.718
C2	-1.243	0.718
C3	0.000	-1.436
N4	0.000	1.339
N5	-1.160	-0.669
N6	1.160	-0.669
O7	2.301	1.329
O8	-2.301	1.329
O9	0.000	-2.658
H10	0.000	2.351
H11	-2.036	-1.175
H12	2.036	-1.175

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4864	2.4864	1.3898	2.7745	1.3898	1.2220	3.5969	3.5969	2.0524	3.7863	2.0524
C2	2.4864		2.4864	1.3898	1.3898	2.7745	3.5969	1.2220	3.5969	2.0524	2.0524	3.7863
C3	2.4864	2.4864		2.7745	1.3898	1.3898	3.5969	3.5969	1.2220	3.7863	2.0524	2.0524
N4	1.3898	1.3898	2.7745		2.3192	2.3192	2.3015	2.3015	3.9965	1.0117	3.2352	3.2352
N5	2.7745	1.3898	1.3898	2.3192		2.3192	3.9965	2.3015	2.3015	3.2352	1.0117	3.2352
N6	1.3898	2.7745	1.3898	2.3192	2.3192		2.3015	3.9965	2.3015	3.2352	3.2352	1.0117
O7	1.2220	3.5969	3.5969	2.3015	3.9965	2.3015		4.6029	4.6029	2.5182	5.0082	2.5182
O8	3.5969	1.2220	3.5969	2.3015	2.3015	3.9965	4.6029		4.6029	2.5182	2.5182	5.0082
O9	3.5969	3.5969	1.2220	3.9965	2.3015	2.3015	4.6029	4.6029		5.0082	2.5182	2.5182
H10	2.0524	2.0524	3.7863	1.0117	3.2352	3.2352	2.5182	2.5182	5.0082		4.0716	4.0716
H11	3.7863	2.0524	2.0524	3.2352	1.0117	3.2352	5.0082	2.5182	2.5182	4.0716		4.0716
H12	2.0524	3.7863	2.0524	3.2352	3.2352	1.0117	2.5182	5.0082	2.5182	4.0716	4.0716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.898	C1	N4	H10	116.551
C1	N6	C3	126.898	C1	N6	H12	116.551
C2	N4	H10	116.551	C2	N5	C3	126.898
C2	N5	H11	116.551	C3	N5	H11	116.551
C3	N6	H12	116.551	N4	C1	N6	113.102
N4	C1	O7	123.449	N4	C2	N5	113.102
N4	C2	O8	123.449	N5	C2	O8	123.449
N5	C3	N6	113.102	N5	C3	O9	123.449
N6	C1	O7	123.449	N6	C3	O9	123.449

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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