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	hartrees
Energy at 0K	-505.257278
Energy at 298.15K	-505.264406
HF Energy	-503.510373
Nuclear repulsion energy	445.303155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3655	3514
2	A₁'	1829	1758
3	A₁'	987	949
4	A₁'	631	607
5	A₂'	1385	1332
6	A₂'	1220	1173
7	A₂'	618	594
8	A₂"	717	690
9	A₂"	655	630
10	A₂"	102	98
11	E'	3654	3513
11	E'	3653	3513
12	E'	1829	1758
12	E'	1829	1758
13	E'	1460	1404
13	E'	1460	1404
14	E'	1401	1347
14	E'	1400	1346
15	E'	1028	988
15	E'	1027	987
16	E'	510	490
16	E'	509	490
17	E'	385	370
17	E'	385	370
18	E"	728	700
18	E"	728	700
19	E"	546	525
19	E"	542	521
20	E"	114	110
20	E"	113	108

Atom	x (Å)	y (Å)
C1	1.250	0.722
C2	-1.250	0.722
C3	0.000	-1.443
N4	0.000	1.340
N5	-1.160	-0.670
N6	1.160	-0.670
O7	2.301	1.328
O8	-2.301	1.328
O9	0.000	-2.657
H10	0.000	2.351
H11	-2.036	-1.176
H12	2.036	-1.176

	C1	C2	C3	N4	N5	N6	O7	O8	O9	H10	H11	H12
C1		2.5001	2.5001	1.3946	2.7835	1.3946	1.2134	3.6024	3.6024	2.0539	3.7949	2.0539
C2	2.5001		2.5001	1.3946	1.3946	2.7835	3.6024	1.2134	3.6024	2.0539	2.0539	3.7949
C3	2.5001	2.5001		2.7835	1.3946	1.3946	3.6024	3.6024	1.2134	3.7949	2.0539	2.0539
N4	1.3946	1.3946	2.7835		2.3210	2.3210	2.3009	2.3009	3.9968	1.0114	3.2366	3.2366
N5	2.7835	1.3946	1.3946	2.3210		2.3210	3.9968	2.3009	2.3009	3.2366	1.0114	3.2366
N6	1.3946	2.7835	1.3946	2.3210	2.3210		2.3009	3.9968	2.3009	3.2366	3.2366	1.0114
O7	1.2134	3.6024	3.6024	2.3009	3.9968	2.3009		4.6018	4.6018	2.5181	5.0083	2.5181
O8	3.6024	1.2134	3.6024	2.3009	2.3009	3.9968	4.6018		4.6018	2.5181	2.5181	5.0083
O9	3.6024	3.6024	1.2134	3.9968	2.3009	2.3009	4.6018	4.6018		5.0083	2.5181	2.5181
H10	2.0539	2.0539	3.7949	1.0114	3.2366	3.2366	2.5181	2.5181	5.0083		4.0728	4.0728
H11	3.7949	2.0539	2.0539	3.2366	1.0114	3.2366	5.0083	2.5181	2.5181	4.0728		4.0728
H12	2.0539	3.7949	2.0539	3.2366	3.2366	1.0114	2.5181	5.0083	2.5181	4.0728	4.0728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N4	C2	127.365	C1	N4	H10	116.318
C1	N6	C3	127.365	C1	N6	H12	116.318
C2	N4	H10	116.318	C2	N5	C3	127.365
C2	N5	H11	116.318	C3	N5	H11	116.318
C3	N6	H12	116.318	N4	C1	N6	112.635
N4	C1	O7	123.682	N4	C2	N5	112.635
N4	C2	O8	123.682	N5	C2	O8	123.683
N5	C3	N6	112.635	N5	C3	O9	123.682
N6	C1	O7	123.683	N6	C3	O9	123.682

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

using model chemistry: MP4=FULL/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: MP4=FULL/6-311G**

States and conformations

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