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	hartrees
Energy at 0K	-505.829187
Energy at 298.15K	-505.836757
HF Energy	-505.829187
Nuclear repulsion energy	449.863896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3660	3518	0.00
2	A₁'	1875	1802	0.00
3	A₁'	1002	963	0.00
4	A₁'	678	651	0.00
5	A₂'	1379	1326	0.00
6	A₂'	1249	1200	0.00
7	A₂'	636	612	0.00
8	A₂"	779	749	91.82
9	A₂"	671	645	227.05
10	A₂"	133	128	3.29
11	E'	3657	3515	161.20
11	E'	3657	3515	161.20
12	E'	1852	1780	974.99
12	E'	1852	1780	975.07
13	E'	1490	1432	339.70
13	E'	1490	1432	339.69
14	E'	1415	1360	47.93
14	E'	1415	1360	47.95
15	E'	1042	1001	12.99
15	E'	1042	1001	12.98
16	E'	522	502	26.76
16	E'	522	502	26.76
17	E'	396	380	25.58
17	E'	396	380	25.59
18	E"	772	742	0.00
18	E"	772	742	0.00
19	E"	608	585	0.00
19	E"	608	585	0.00
20	E"	157	151	0.00
20	E"	157	151	0.00

Atom	x (Å)	y (Å)
C1	1.234	0.712
C2	-1.234	0.712
C3	0.000	-1.424
N4	0.000	1.331
N5	-1.153	-0.665
N6	1.153	-0.665
O7	2.275	1.313
O8	-2.275	1.313
O9	0.000	-2.626
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		2.4670	2.4670	1.3799	2.7551	1.3799	1.2021	3.5592	3.5592	2.0408	3.7623	2.0408
C2	2.4670		2.4670	1.3799	1.3799	2.7551	3.5592	1.2021	3.5592	2.0408	2.0408	3.7623
C3	2.4670	2.4670		2.7551	1.3799	1.3799	3.5592	3.5592	1.2021	3.7623	2.0408	2.0408
N4	1.3799	1.3799	2.7551		2.3050	2.3050	2.2747	2.2747	3.9573	1.0072	3.2169	3.2169
N5	2.7551	1.3799	1.3799	2.3050		2.3050	3.9573	2.2747	2.2747	3.2169	1.0072	3.2169
N6	1.3799	2.7551	1.3799	2.3050	2.3050		2.2747	3.9573	2.2747	3.2169	3.2169	1.0072
O7	1.2021	3.5592	3.5592	2.2747	3.9573	2.2747		4.5492	4.5492	2.4948	4.9645	2.4948
O8	3.5592	1.2021	3.5592	2.2747	2.2747	3.9573	4.5492		4.5492	2.4948	2.4948	4.9645
O9	3.5592	3.5592	1.2021	3.9573	2.2747	2.2747	4.5492	4.5492		4.9645	2.4948	2.4948
H10	2.0408	2.0408	3.7623	1.0072	3.2169	3.2169	2.4948	2.4948	4.9645		4.0495	4.0495
H11	3.7623	2.0408	2.0408	3.2169	1.0072	3.2169	4.9645	2.4948	2.4948	4.0495		4.0495
H12	2.0408	3.7623	2.0408	3.2169	3.2169	1.0072	2.4948	4.9645	2.4948	4.0495	4.0495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	126.731	C1	N4	H10	116.634
C1	N6	C3	126.731	C1	N6	H12	116.634
C2	N4	H10	116.634	C2	N5	C3	126.731
C2	N5	H11	116.634	C3	N5	H11	116.634
C3	N6	H12	116.634	N4	C1	N6	113.269
N4	C1	O7	123.366	N4	C2	N5	113.269
N4	C2	O8	123.366	N5	C2	O8	123.366
N5	C3	N6	113.269	N5	C3	O9	123.366
N6	C1	O7	123.366	N6	C3	O9	123.366

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

using model chemistry: HSEh1PBE/cc-pVTZ

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: HSEh1PBE/cc-pVTZ

States and conformations

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