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	hartrees
Energy at 0K	-503.520086
Energy at 298.15K	-503.528027
HF Energy	-503.520086
Nuclear repulsion energy	453.591638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3857	3504	0.00
2	A₁'	2036	1850	0.00
3	A₁'	1074	975	0.00
4	A₁'	726	659	0.00
5	A₂'	1536	1395	0.00
6	A₂'	1354	1230	0.00
7	A₂'	700	636	0.00
8	A₂"	872	792	184.06
9	A₂"	699	635	296.85
10	A₂"	146	132	2.47
11	E'	3854	3501	194.67
11	E'	3854	3501	194.67
12	E'	2011	1827	1319.47
12	E'	2011	1827	1319.47
13	E'	1615	1467	311.69
13	E'	1615	1467	311.69
14	E'	1541	1400	213.46
14	E'	1541	1400	213.46
15	E'	1122	1020	17.25
15	E'	1122	1020	17.25
16	E'	563	512	30.69
16	E'	563	512	30.69
17	E'	434	394	35.90
17	E'	434	394	35.90
18	E"	845	768	0.00
18	E"	845	768	0.00
19	E"	632	574	0.00
19	E"	632	574	0.00
20	E"	156	142	0.00
20	E"	156	142	0.00

Atom	x (Å)	y (Å)
C1	1.227	0.709
C2	-1.227	0.709
C3	0.000	-1.417
N4	0.000	1.328
N5	-1.150	-0.664
N6	1.150	-0.664
O7	2.250	1.299
O8	-2.250	1.299
O9	0.000	-2.599
H10	0.000	2.324
H11	-2.013	-1.162
H12	2.013	-1.162

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4549	2.4549	1.3749	2.7455	1.3749	1.1812	3.5276	3.5276	2.0288	3.7414	2.0288
C2	2.4549		2.4549	1.3749	1.3749	2.7455	3.5276	1.1812	3.5276	2.0288	2.0288	3.7414
C3	2.4549	2.4549		2.7455	1.3749	1.3749	3.5276	3.5276	1.1812	3.7414	2.0288	2.0288
N4	1.3749	1.3749	2.7455		2.3003	2.3003	2.2506	2.2506	3.9266	0.9959	3.2018	3.2018
N5	2.7455	1.3749	1.3749	2.3003		2.3003	3.9266	2.2506	2.2506	3.2018	0.9959	3.2018
N6	1.3749	2.7455	1.3749	2.3003	2.3003		2.2506	3.9266	2.2506	3.2018	3.2018	0.9959
O7	1.1812	3.5276	3.5276	2.2506	3.9266	2.2506		4.5008	4.5008	2.4727	4.9225	2.4727
O8	3.5276	1.1812	3.5276	2.2506	2.2506	3.9266	4.5008		4.5008	2.4727	2.4727	4.9225
O9	3.5276	3.5276	1.1812	3.9266	2.2506	2.2506	4.5008	4.5008		4.9225	2.4727	2.4727
H10	2.0288	2.0288	3.7414	0.9959	3.2018	3.2018	2.4727	2.4727	4.9225		4.0253	4.0253
H11	3.7414	2.0288	2.0288	3.2018	0.9959	3.2018	4.9225	2.4727	2.4727	4.0253		4.0253
H12	2.0288	3.7414	2.0288	3.2018	3.2018	0.9959	2.4727	4.9225	2.4727	4.0253	4.0253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.447	C1	N4	H10	116.776
C1	N6	C3	126.447	C1	N6	H12	116.776
C2	N4	H10	116.776	C2	N5	C3	126.447
C2	N5	H11	116.776	C3	N5	H11	116.776
C3	N6	H12	116.776	N4	C1	N6	113.553
N4	C1	O7	123.224	N4	C2	N5	113.553
N4	C2	O8	123.224	N5	C2	O8	123.224
N5	C3	N6	113.553	N5	C3	O9	123.224
N6	C1	O7	123.224	N6	C3	O9	123.224

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

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

States and conformations

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