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	hartrees
Energy at 0K	-504.847001
Energy at 298.15K	-504.854369
HF Energy	-503.429241
Nuclear repulsion energy	445.765614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3672	3523	0.00
2	A₁'	1888	1811	0.00
3	A₁'	998	958	0.00
4	A₁'	673	646	0.00
5	A₂'	1397	1340	0.00
6	A₂'	1274	1222	0.00
7	A₂'	637	611	0.00
8	A₂"	757	726	71.84
9	A₂"	655	628	297.41
10	A₂"	106	102	0.25
11	E'	3671	3522	152.86
11	E'	3671	3522	152.86
12	E'	1875	1799	944.88
12	E'	1875	1799	944.95
13	E'	1507	1446	351.65
13	E'	1507	1446	351.65
14	E'	1422	1364	50.94
14	E'	1422	1364	50.93
15	E'	1049	1007	15.87
15	E'	1049	1007	15.87
16	E'	518	497	22.00
16	E'	518	497	22.00
17	E'	395	379	25.91
17	E'	395	379	25.92
18	E"	759	728	0.00
18	E"	759	728	0.00
19	E"	581	558	0.00
19	E"	581	558	0.00
20	E"	132	126	0.00
20	E"	132	126	0.00

Atom	x (Å)	y (Å)
C1	1.247	0.720
C2	-1.247	0.720
C3	0.000	-1.440
N4	0.000	1.342
N5	-1.163	-0.671
N6	1.163	-0.671
O7	2.296	1.325
O8	-2.296	1.325
O9	0.000	-2.651
H10	0.000	2.358
H11	-2.042	-1.179
H12	2.042	-1.179

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4938	2.4938	1.3936	2.7822	1.3936	1.2110	3.5940	3.5940	2.0586	3.7977	2.0586
C2	2.4938		2.4938	1.3936	1.3936	2.7822	3.5940	1.2110	3.5940	2.0586	2.0586	3.7977
C3	2.4938	2.4938		2.7822	1.3936	1.3936	3.5940	3.5940	1.2110	3.7977	2.0586	2.0586
N4	1.3936	1.3936	2.7822		2.3251	2.3251	2.2957	2.2957	3.9932	1.0156	3.2446	3.2446
N5	2.7822	1.3936	1.3936	2.3251		2.3251	3.9932	2.2957	2.2957	3.2446	1.0156	3.2446
N6	1.3936	2.7822	1.3936	2.3251	2.3251		2.2957	3.9932	2.2957	3.2446	3.2446	1.0156
O7	1.2110	3.5940	3.5940	2.2957	3.9932	2.2957		4.5914	4.5914	2.5172	5.0088	2.5172
O8	3.5940	1.2110	3.5940	2.2957	2.2957	3.9932	4.5914		4.5914	2.5172	2.5172	5.0088
O9	3.5940	3.5940	1.2110	3.9932	2.2957	2.2957	4.5914	4.5914		5.0088	2.5172	2.5172
H10	2.0586	2.0586	3.7977	1.0156	3.2446	3.2446	2.5172	2.5172	5.0088		4.0841	4.0841
H11	3.7977	2.0586	2.0586	3.2446	1.0156	3.2446	5.0088	2.5172	2.5172	4.0841		4.0841
H12	2.0586	3.7977	2.0586	3.2446	3.2446	1.0156	2.5172	5.0088	2.5172	4.0841	4.0841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.941	C1	N4	H10	116.529
C1	N6	C3	126.941	C1	N6	H12	116.529
C2	N4	H10	116.529	C2	N5	C3	126.941
C2	N5	H11	116.529	C3	N5	H11	116.530
C3	N6	H12	116.530	N4	C1	N6	113.059
N4	C1	O7	123.471	N4	C2	N5	113.059
N4	C2	O8	123.471	N5	C2	O8	123.471
N5	C3	N6	113.059	N5	C3	O9	123.470
N6	C1	O7	123.471	N6	C3	O9	123.470

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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