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	hartrees
Energy at 0K	-496.718409
Energy at 298.15K	-496.724834
HF Energy	-496.718409
Nuclear repulsion energy	438.884817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	4129	3372	0.00
2	A₁'	2114	1726	0.00
3	A₁'	1020	833	0.00
4	A₁'	728	594	0.00
5	A₂'	1599	1306	0.00
6	A₂'	1445	1180	0.00
7	A₂'	649	530	0.00
8	A₂"	726	592	124.64
9	A₂"	582	475	440.52
10	A₂"	43	35	7.66
11	E'	4127	3370	72.59
11	E'	4127	3370	72.59
12	E'	2116	1728	500.95
12	E'	2116	1728	500.95
13	E'	1646	1344	160.53
13	E'	1646	1344	160.53
14	E'	1562	1276	268.72
14	E'	1562	1276	268.72
15	E'	1124	918	5.03
15	E'	1124	918	5.03
16	E'	542	443	10.47
16	E'	542	443	10.47
17	E'	404	330	23.54
17	E'	404	330	23.54
18	E"	715	584	0.00
18	E"	715	584	0.00
19	E"	526	430	0.00
19	E"	526	430	0.00
20	E"	67	55	0.00
20	E"	67	55	0.00

Atom	x (Å)	y (Å)
C1	1.274	0.735
C2	-1.274	0.735
C3	0.000	-1.471
N4	0.000	1.371
N5	-1.187	-0.685
N6	1.187	-0.685
O7	2.328	1.344
O8	-2.328	1.344
O9	0.000	-2.688
H10	0.000	2.390
H11	-2.070	-1.195
H12	2.070	-1.195

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5474	2.5474	1.4233	2.8414	1.4233	1.2170	3.6524	3.6524	2.0881	3.8607	2.0881
C2	2.5474		2.5474	1.4233	1.4233	2.8414	3.6524	1.2170	3.6524	2.0881	2.0881	3.8607
C3	2.5474	2.5474		2.8414	1.4233	1.4233	3.6524	3.6524	1.2170	3.8607	2.0881	2.0881
N4	1.4233	1.4233	2.8414		2.3740	2.3740	2.3278	2.3278	4.0584	1.0194	3.2965	3.2965
N5	2.8414	1.4233	1.4233	2.3740		2.3740	4.0584	2.3278	2.3278	3.2965	1.0194	3.2965
N6	1.4233	2.8414	1.4233	2.3740	2.3740		2.3278	4.0584	2.3278	3.2965	3.2965	1.0194
O7	1.2170	3.6524	3.6524	2.3278	4.0584	2.3278		4.6553	4.6553	2.5519	5.0778	2.5519
O8	3.6524	1.2170	3.6524	2.3278	2.3278	4.0584	4.6553		4.6553	2.5519	2.5519	5.0778
O9	3.6524	3.6524	1.2170	4.0584	2.3278	2.3278	4.6553	4.6553		5.0778	2.5519	2.5519
H10	2.0881	2.0881	3.8607	1.0194	3.2965	3.2965	2.5519	2.5519	5.0778		4.1396	4.1396
H11	3.8607	2.0881	2.0881	3.2965	1.0194	3.2965	5.0778	2.5519	2.5519	4.1396		4.1396
H12	2.0881	3.8607	2.0881	3.2965	3.2965	1.0194	2.5519	5.0778	2.5519	4.1396	4.1396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.982	C1	N4	H10	116.509
C1	N6	C3	126.982	C1	N6	H12	116.509
C2	N4	H10	116.509	C2	N5	C3	126.982
C2	N5	H11	116.509	C3	N5	H11	116.509
C3	N6	H12	116.509	N4	C1	N6	113.018
N4	C1	O7	123.491	N4	C2	N5	113.018
N4	C2	O8	123.491	N5	C2	O8	123.491
N5	C3	N6	113.018	N5	C3	O9	123.491
N6	C1	O7	123.491	N6	C3	O9	123.491

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

using model chemistry: HF/STO-3G

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: HF/STO-3G

States and conformations

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