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	hartrees
Energy at 0K	-503.221205
Energy at 298.15K	-503.229369
HF Energy	-503.221205
Nuclear repulsion energy	448.144491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3873	3485	0.00
2	A₁'	1909	1718	0.00
3	A₁'	1065	959	0.00
4	A₁'	713	641	0.00
5	A₂'	1589	1430	0.00
6	A₂'	1414	1272	0.00
7	A₂'	667	601	0.00
8	A₂"	951	856	638.46
9	A₂"	752	677	127.37
10	A₂"	194	174	14.86
11	E'	3869	3482	209.74
11	E'	3869	3482	209.74
12	E'	1905	1714	1333.48
12	E'	1905	1714	1333.48
13	E'	1578	1420	127.24
13	E'	1578	1420	127.24
14	E'	1549	1394	412.13
14	E'	1549	1394	412.13
15	E'	1117	1005	8.68
15	E'	1117	1005	8.68
16	E'	566	509	34.10
16	E'	566	509	34.10
17	E'	415	374	43.65
17	E'	415	374	43.65
18	E"	871	784	0.00
18	E"	871	784	0.00
19	E"	746	671	0.00
19	E"	746	671	0.00
20	E"	185	166	0.00
20	E"	185	166	0.00

Atom	x (Å)	y (Å)
C1	1.230	0.710
C2	-1.230	0.710
C3	0.000	-1.421
N4	0.000	1.341
N5	-1.161	-0.670
N6	1.161	-0.670
O7	2.284	1.319
O8	-2.284	1.319
O9	0.000	-2.637
H10	0.000	2.338
H11	-2.025	-1.169
H12	2.025	-1.169

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4604	2.4604	1.3823	2.7612	1.3823	1.2167	3.5664	3.5664	2.0406	3.7589	2.0406
C2	2.4604		2.4604	1.3823	1.3823	2.7612	3.5664	1.2167	3.5664	2.0406	2.0406	3.7589
C3	2.4604	2.4604		2.7612	1.3823	1.3823	3.5664	3.5664	1.2167	3.7589	2.0406	2.0406
N4	1.3823	1.3823	2.7612		2.3222	2.3222	2.2840	2.2840	3.9779	0.9977	3.2250	3.2250
N5	2.7612	1.3823	1.3823	2.3222		2.3222	3.9779	2.2840	2.2840	3.2250	0.9977	3.2250
N6	1.3823	2.7612	1.3823	2.3222	2.3222		2.2840	3.9779	2.2840	3.2250	3.2250	0.9977
O7	1.2167	3.5664	3.5664	2.2840	3.9779	2.2840		4.5678	4.5678	2.5012	4.9756	2.5012
O8	3.5664	1.2167	3.5664	2.2840	2.2840	3.9779	4.5678		4.5678	2.5012	2.5012	4.9756
O9	3.5664	3.5664	1.2167	3.9779	2.2840	2.2840	4.5678	4.5678		4.9756	2.5012	2.5012
H10	2.0406	2.0406	3.7589	0.9977	3.2250	3.2250	2.5012	2.5012	4.9756		4.0502	4.0502
H11	3.7589	2.0406	2.0406	3.2250	0.9977	3.2250	4.9756	2.5012	2.5012	4.0502		4.0502
H12	2.0406	3.7589	2.0406	3.2250	3.2250	0.9977	2.5012	4.9756	2.5012	4.0502	4.0502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	125.731	C1	N4	H10	117.135
C1	N6	C3	125.731	C1	N6	H12	117.135
C2	N4	H10	117.135	C2	N5	C3	125.731
C2	N5	H11	117.135	C3	N5	H11	117.135
C3	N6	H12	117.135	N4	C1	N6	114.269
N4	C1	O7	122.865	N4	C2	N5	114.269
N4	C2	O8	122.865	N5	C2	O8	122.865
N5	C3	N6	114.269	N5	C3	O9	122.865
N6	C1	O7	122.865	N6	C3	O9	122.865

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

using model chemistry: HF/LANL2DZ

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/LANL2DZ

States and conformations

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