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	hartrees
Energy at 0K	-503.222342
Energy at 298.15K	-503.230508
HF Energy	-503.222342
Nuclear repulsion energy	448.120485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3872	3486	0.00
2	A₁'	1910	1720	0.00
3	A₁'	1065	959	0.00
4	A₁'	713	642	0.00
5	A₂'	1588	1430	0.00
6	A₂'	1412	1271	0.00
7	A₂'	667	601	0.00
8	A₂"	951	856	637.46
9	A₂"	752	677	127.36
10	A₂"	194	174	14.88
11	E'	3868	3483	210.18
11	E'	3868	3483	210.18
12	E'	1905	1715	1336.41
12	E'	1905	1715	1336.41
13	E'	1578	1420	120.10
13	E'	1578	1420	120.10
14	E'	1549	1395	421.04
14	E'	1549	1395	421.04
15	E'	1117	1005	8.77
15	E'	1117	1005	8.77
16	E'	566	510	34.05
16	E'	566	510	34.05
17	E'	415	374	43.61
17	E'	415	374	43.61
18	E"	871	784	0.00
18	E"	871	784	0.00
19	E"	745	671	0.00
19	E"	745	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	2.339
H11	-2.025	-1.169
H12	2.025	-1.169

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.4609	2.4609	1.3825	2.7616	1.3825	1.2165	3.5667	3.5667	2.0408	3.7593	2.0408
C2	2.4609		2.4609	1.3825	1.3825	2.7616	3.5667	1.2165	3.5667	2.0408	2.0408	3.7593
C3	2.4609	2.4609		2.7616	1.3825	1.3825	3.5667	3.5667	1.2165	3.7593	2.0408	2.0408
N4	1.3825	1.3825	2.7616		2.3223	2.3223	2.2841	2.2841	3.9781	0.9977	3.2252	3.2252
N5	2.7616	1.3825	1.3825	2.3223		2.3223	3.9781	2.2841	2.2841	3.2252	0.9977	3.2252
N6	1.3825	2.7616	1.3825	2.3223	2.3223		2.2841	3.9781	2.2841	3.2252	3.2252	0.9977
O7	1.2165	3.5667	3.5667	2.2841	3.9781	2.2841		4.5679	4.5679	2.5013	4.9758	2.5013
O8	3.5667	1.2165	3.5667	2.2841	2.2841	3.9781	4.5679		4.5679	2.5013	2.5013	4.9758
O9	3.5667	3.5667	1.2165	3.9781	2.2841	2.2841	4.5679	4.5679		4.9758	2.5013	2.5013
H10	2.0408	2.0408	3.7593	0.9977	3.2252	3.2252	2.5013	2.5013	4.9758		4.0504	4.0504
H11	3.7593	2.0408	2.0408	3.2252	0.9977	3.2252	4.9758	2.5013	2.5013	4.0504		4.0504
H12	2.0408	3.7593	2.0408	3.2252	3.2252	0.9977	2.5013	4.9758	2.5013	4.0504	4.0504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	125.746	C1	N4	H10	117.127
C1	N6	C3	125.746	C1	N6	H12	117.127
C2	N4	H10	117.127	C2	N5	C3	125.746
C2	N5	H11	117.127	C3	N5	H11	117.127
C3	N6	H12	117.127	N4	C1	N6	114.254
N4	C1	O7	122.873	N4	C2	N5	114.254
N4	C2	O8	122.873	N5	C2	O8	122.873
N5	C3	N6	114.254	N5	C3	O9	122.873
N6	C1	O7	122.873	N6	C3	O9	122.873

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

using model chemistry: HF/SDD

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/SDD

States and conformations

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