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	hartrees
Energy at 0K	-504.967510
Energy at 298.15K	-504.974810
HF Energy	-503.504401
Nuclear repulsion energy	446.930957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3672	3490	0.00
2	A₁'	1873	1780	0.00
3	A₁'	1001	951	0.00
4	A₁'	669	636	0.00
5	A₂'	1418	1348	0.00
6	A₂'	1248	1186	0.00
7	A₂'	628	596	0.00
8	A₂"	738	701	64.04
9	A₂"	657	625	345.14
10	A₂"	114	108	0.03
11	E'	3671	3488	149.33
11	E'	3671	3488	149.33
12	E'	1871	1778	936.44
12	E'	1871	1778	936.44
13	E'	1491	1417	328.62
13	E'	1491	1417	328.62
14	E'	1431	1360	86.15
14	E'	1431	1360	86.15
15	E'	1049	996	16.63
15	E'	1049	996	16.63
16	E'	519	493	22.46
16	E'	519	493	22.46
17	E'	392	373	24.77
17	E'	392	373	24.77
18	E"	746	709	0.00
18	E"	746	709	0.00
19	E"	577	548	0.00
19	E"	577	548	0.00
20	E"	124	118	0.00
20	E"	124	118	0.00

Atom	x (Å)	y (Å)
C1	1.244	0.719
C2	-1.244	0.719
C3	0.000	-1.437
N4	0.000	1.336
N5	-1.157	-0.668
N6	1.157	-0.668
O7	2.292	1.323
O8	-2.292	1.323
O9	0.000	-2.646
H10	0.000	2.346
H11	-2.032	-1.173
H12	2.032	-1.173

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4890	2.4890	1.3894	2.7734	1.3894	1.2090	3.5873	3.5873	2.0492	3.7835	2.0492
C2	2.4890		2.4890	1.3894	1.3894	2.7734	3.5873	1.2090	3.5873	2.0492	2.0492	3.7835
C3	2.4890	2.4890		2.7734	1.3894	1.3894	3.5873	3.5873	1.2090	3.7835	2.0492	2.0492
N4	1.3894	1.3894	2.7734		2.3147	2.3147	2.2916	2.2916	3.9825	1.0101	3.2292	3.2292
N5	2.7734	1.3894	1.3894	2.3147		2.3147	3.9825	2.2916	2.2916	3.2292	1.0101	3.2292
N6	1.3894	2.7734	1.3894	2.3147	2.3147		2.2916	3.9825	2.2916	3.2292	3.2292	1.0101
O7	1.2090	3.5873	3.5873	2.2916	3.9825	2.2916		4.5831	4.5831	2.5097	4.9925	2.5097
O8	3.5873	1.2090	3.5873	2.2916	2.2916	3.9825	4.5831		4.5831	2.5097	2.5097	4.9925
O9	3.5873	3.5873	1.2090	3.9825	2.2916	2.2916	4.5831	4.5831		4.9925	2.5097	2.5097
H10	2.0492	2.0492	3.7835	1.0101	3.2292	3.2292	2.5097	2.5097	4.9925		4.0642	4.0642
H11	3.7835	2.0492	2.0492	3.2292	1.0101	3.2292	4.9925	2.5097	2.5097	4.0642		4.0642
H12	2.0492	3.7835	2.0492	3.2292	3.2292	1.0101	2.5097	4.9925	2.5097	4.0642	4.0642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.190	C1	N4	H10	116.405
C1	N6	C3	127.190	C1	N6	H12	116.405
C2	N4	H10	116.405	C2	N5	C3	127.190
C2	N5	H11	116.405	C3	N5	H11	116.405
C3	N6	H12	116.405	N4	C1	N6	112.810
N4	C1	O7	123.595	N4	C2	N5	112.810
N4	C2	O8	123.595	N5	C2	O8	123.595
N5	C3	N6	112.810	N5	C3	O9	123.595
N6	C1	O7	123.595	N6	C3	O9	123.595

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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