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	hartrees
Energy at 0K	-504.096563
Energy at 298.15K	-504.104084
HF Energy	-503.125365
Nuclear repulsion energy	439.368039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3627	3495	0.00
2	A₁'	1741	1677	0.00
3	A₁'	994	958	0.00
4	A₁'	657	633	0.00
5	A₂'	1452	1399	0.00
6	A₂'	1250	1204	0.00
7	A₂'	620	598	0.00
8	A₂"	757	730	599.58
9	A₂"	677	652	59.17
10	A₂"	154	149	3.37
11	E'	3624	3492	133.03
11	E'	3624	3492	133.03
12	E'	1751	1687	841.54
12	E'	1751	1687	841.54
13	E'	1439	1386	330.37
13	E'	1439	1386	330.39
14	E'	1428	1376	63.39
14	E'	1428	1376	63.43
15	E'	1028	991	15.57
15	E'	1028	991	15.57
16	E'	522	503	26.27
16	E'	522	503	26.27
17	E'	382	368	26.69
17	E'	382	368	26.69
18	E"	725	699	0.00
18	E"	725	699	0.00
19	E"	651	627	0.00
19	E"	651	627	0.00
20	E"	161	155	0.00
20	E"	161	155	0.00

Atom	x (Å)	y (Å)
C1	1.256	0.725
C2	-1.256	0.725
C3	0.000	-1.451
N4	0.000	1.356
N5	-1.174	-0.678
N6	1.174	-0.678
O7	2.337	1.349
O8	-2.337	1.349
O9	0.000	-2.699
H10	0.000	2.370
H11	-2.053	-1.185
H12	2.053	-1.185

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5125	2.5125	1.4056	2.8064	1.4056	1.2483	3.6474	3.6474	2.0699	3.8210	2.0699
C2	2.5125		2.5125	1.4056	1.4056	2.8064	3.6474	1.2483	3.6474	2.0699	2.0699	3.8210
C3	2.5125	2.5125		2.8064	1.4056	1.4056	3.6474	3.6474	1.2483	3.8210	2.0699	2.0699
N4	1.4056	1.4056	2.8064		2.3482	2.3482	2.3373	2.3373	4.0547	1.0146	3.2666	3.2666
N5	2.8064	1.4056	1.4056	2.3482		2.3483	4.0547	2.3373	2.3373	3.2666	1.0146	3.2666
N6	1.4056	2.8064	1.4056	2.3482	2.3483		2.3373	4.0547	2.3373	3.2666	3.2666	1.0146
O7	1.2483	3.6474	3.6474	2.3373	4.0547	2.3373		4.6747	4.6747	2.5506	5.0693	2.5506
O8	3.6474	1.2483	3.6474	2.3373	2.3373	4.0547	4.6747		4.6747	2.5506	2.5506	5.0693
O9	3.6474	3.6474	1.2483	4.0547	2.3373	2.3373	4.6747	4.6747		5.0693	2.5506	2.5506
H10	2.0699	2.0699	3.8210	1.0146	3.2666	3.2666	2.5506	2.5506	5.0693		4.1056	4.1056
H11	3.8210	2.0699	2.0699	3.2666	1.0146	3.2666	5.0693	2.5506	2.5506	4.1056		4.1056
H12	2.0699	3.8210	2.0699	3.2666	3.2666	1.0146	2.5506	5.0693	2.5506	4.1056	4.1056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.699	C1	N4	H10	116.650
C1	N6	C3	126.699	C1	N6	H12	116.650
C2	N4	H10	116.650	C2	N5	C3	126.699
C2	N5	H11	116.650	C3	N5	H11	116.650
C3	N6	H12	116.650	N4	C1	N6	113.301
N4	C1	O7	123.350	N4	C2	N5	113.301
N4	C2	O8	123.350	N5	C2	O8	123.350
N5	C3	N6	113.301	N5	C3	O9	123.350
N6	C1	O7	123.350	N6	C3	O9	123.350

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

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

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