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	hartrees
Energy at 0K	-505.081073
Energy at 298.15K	-505.088519
HF Energy	-503.438067
Nuclear repulsion energy	448.108765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3676	3472	0.00
2	A₁'	1879	1774	0.00
3	A₁'	996	940	0.00
4	A₁'	671	634	0.00
5	A₂'	1372	1296	0.00
6	A₂'	1260	1190	0.00
7	A₂'	624	589	0.00
8	A₂"	762	720	59.51
9	A₂"	677	639	278.11
10	A₂"	120	113	0.70
11	E'	3674	3470	177.21
11	E'	3674	3470	177.21
12	E'	1871	1768	838.38
12	E'	1871	1768	838.38
13	E'	1487	1404	364.84
13	E'	1487	1404	364.84
14	E'	1404	1327	23.79
14	E'	1404	1327	23.79
15	E'	1043	985	11.05
15	E'	1043	985	11.05
16	E'	514	485	21.36
16	E'	514	485	21.36
17	E'	391	369	25.28
17	E'	391	369	25.28
18	E"	769	726	0.00
18	E"	769	726	0.00
19	E"	605	572	0.00
19	E"	605	572	0.00
20	E"	147	139	0.00
20	E"	147	139	0.00

Atom	x (Å)	y (Å)
C1	1.241	0.716
C2	-1.241	0.716
C3	0.000	-1.432
N4	0.000	1.331
N5	-1.153	-0.666
N6	1.153	-0.666
O7	2.286	1.320
O8	-2.286	1.320
O9	0.000	-2.640
H10	0.000	2.341
H11	-2.027	-1.170
H12	2.027	-1.170

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4811	2.4811	1.3846	2.7636	1.3846	1.2077	3.5782	3.5782	2.0442	3.7734	2.0442
C2	2.4811		2.4811	1.3846	1.3846	2.7636	3.5782	1.2077	3.5782	2.0442	2.0442	3.7734
C3	2.4811	2.4811		2.7636	1.3846	1.3846	3.5782	3.5782	1.2077	3.7734	2.0442	2.0442
N4	1.3846	1.3846	2.7636		2.3056	2.3056	2.2864	2.2864	3.9713	1.0098	3.2200	3.2200
N5	2.7636	1.3846	1.3846	2.3056		2.3056	3.9713	2.2864	2.2864	3.2200	1.0098	3.2200
N6	1.3846	2.7636	1.3846	2.3056	2.3056		2.2864	3.9713	2.2864	3.2200	3.2200	1.0098
O7	1.2077	3.5782	3.5782	2.2864	3.9713	2.2864		4.5728	4.5728	2.5040	4.9811	2.5040
O8	3.5782	1.2077	3.5782	2.2864	2.2864	3.9713	4.5728		4.5728	2.5040	2.5040	4.9811
O9	3.5782	3.5782	1.2077	3.9713	2.2864	2.2864	4.5728	4.5728		4.9811	2.5040	2.5040
H10	2.0442	2.0442	3.7734	1.0098	3.2200	3.2200	2.5040	2.5040	4.9811		4.0547	4.0547
H11	3.7734	2.0442	2.0442	3.2200	1.0098	3.2200	4.9811	2.5040	2.5040	4.0547		4.0547
H12	2.0442	3.7734	2.0442	3.2200	3.2200	1.0098	2.5040	4.9811	2.5040	4.0547	4.0547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.264	C1	N4	H10	116.368
C1	N6	C3	127.264	C1	N6	H12	116.368
C2	N4	H10	116.368	C2	N5	C3	127.264
C2	N5	H11	116.368	C3	N5	H11	116.368
C3	N6	H12	116.368	N4	C1	N6	112.736
N4	C1	O7	123.632	N4	C2	N5	112.736
N4	C2	O8	123.632	N5	C2	O8	123.632
N5	C3	N6	112.736	N5	C3	O9	123.632
N6	C1	O7	123.632	N6	C3	O9	123.632

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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