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	hartrees
Energy at 0K	-505.733746
Energy at 298.15K	-505.741002
HF Energy	-505.733746
Nuclear repulsion energy	444.395629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3560	3523	0.00
2	A₁'	1806	1787	0.00
3	A₁'	964	954	0.00
4	A₁'	645	638	0.00
5	A₂'	1347	1333	0.00
6	A₂'	1156	1144	0.00
7	A₂'	608	602	0.00
8	A₂"	731	723	98.76
9	A₂"	664	657	257.00
10	A₂"	122	121	1.28
11	E'	3558	3521	110.07
11	E'	3558	3521	110.08
12	E'	1790	1771	846.05
12	E'	1790	1771	846.08
13	E'	1415	1400	229.80
13	E'	1415	1400	229.79
14	E'	1371	1357	117.91
14	E'	1371	1357	117.90
15	E'	1000	989	10.77
15	E'	1000	989	10.77
16	E'	501	495	25.60
16	E'	501	495	25.60
17	E'	378	374	20.43
17	E'	378	374	20.43
18	E"	728	720	0.00
18	E"	728	720	0.00
19	E"	591	585	0.00
19	E"	591	585	0.00
20	E"	145	143	0.00
20	E"	145	143	0.00

Atom	x (Å)	y (Å)
C1	1.253	0.723
C2	-1.253	0.723
C3	0.000	-1.446
N4	0.000	1.343
N5	-1.163	-0.671
N6	1.163	-0.671
O7	2.305	1.331
O8	-2.305	1.331
O9	0.000	-2.662
H10	0.000	2.360
H11	-2.044	-1.180
H12	2.044	-1.180

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5051	2.5051	1.3974	2.7891	1.3974	1.2153	3.6091	3.6091	2.0610	3.8062	2.0610
C2	2.5051		2.5051	1.3974	1.3974	2.7891	3.6091	1.2153	3.6091	2.0610	2.0610	3.8062
C3	2.5051	2.5051		2.7891	1.3974	1.3974	3.6091	3.6091	1.2153	3.8062	2.0610	2.0610
N4	1.3974	1.3974	2.7891		2.3258	2.3258	2.3051	2.3051	4.0044	1.0171	3.2467	3.2467
N5	2.7891	1.3974	1.3974	2.3258		2.3258	4.0044	2.3051	2.3051	3.2467	1.0171	3.2467
N6	1.3974	2.7891	1.3974	2.3258	2.3258		2.3051	4.0044	2.3051	3.2467	3.2467	1.0171
O7	1.2153	3.6091	3.6091	2.3051	4.0044	2.3051		4.6101	4.6101	2.5243	5.0215	2.5243
O8	3.6091	1.2153	3.6091	2.3051	2.3051	4.0044	4.6101		4.6101	2.5243	2.5243	5.0215
O9	3.6091	3.6091	1.2153	4.0044	2.3051	2.3051	4.6101	4.6101		5.0215	2.5243	2.5243
H10	2.0610	2.0610	3.8062	1.0171	3.2467	3.2467	2.5243	2.5243	5.0215		4.0874	4.0874
H11	3.8062	2.0610	2.0610	3.2467	1.0171	3.2467	5.0215	2.5243	2.5243	4.0874		4.0874
H12	2.0610	3.8062	2.0610	3.2467	3.2467	1.0171	2.5243	5.0215	2.5243	4.0874	4.0874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.359	C1	N4	H10	116.320
C1	N6	C3	127.359	C1	N6	H12	116.320
C2	N4	H10	116.320	C2	N5	C3	127.359
C2	N5	H11	116.320	C3	N5	H11	116.320
C3	N6	H12	116.320	N4	C1	N6	112.641
N4	C1	O7	123.679	N4	C2	N5	112.641
N4	C2	O8	123.679	N5	C2	O8	123.680
N5	C3	N6	112.641	N5	C3	O9	123.680
N6	C1	O7	123.680	N6	C3	O9	123.680

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

using model chemistry: PBEPBEultrafine/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: PBEPBEultrafine/6-311G*

States and conformations

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