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	hartrees
Energy at 0K	-89.928150
Energy at 298.15K	-89.930318
HF Energy	-89.276345
Nuclear repulsion energy	198.616097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1236	1195	0.00
2	A₁'	897	866	0.00
3	A₁'	365	353	0.00
4	A₂'	1071	1035	0.00
5	A₂'	465	450	0.00
6	A₂"	768	742	3.89
7	A₂"	135	130	0.10
8	E'	1383	1337	466.05
8	E'	1383	1337	466.05
9	E'	1170	1130	197.58
9	E'	1170	1130	197.58
10	E'	795	768	90.88
10	E'	795	768	90.88
11	E'	437	422	0.63
11	E'	437	422	0.63
12	E'	193	187	0.00
12	E'	193	187	0.00
13	E"	595	575	0.00
13	E"	595	575	0.00
14	E"	164	159	0.00
14	E"	164	159	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.338
C2	1.159	-0.669
C3	-1.159	-0.669
N4	0.000	-1.428
N5	-1.236	0.714
N6	1.236	0.714
Cl7	0.000	3.140
Cl8	2.719	-1.570
Cl9	-2.719	-1.570

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.3172	2.3172	2.7654	1.3849	1.3849	1.8023	3.9813	3.9813
C2	2.3172		2.3172	1.3849	2.7654	1.3849	3.9813	1.8023	3.9813
C3	2.3172	2.3172		1.3849	1.3849	2.7654	3.9813	3.9813	1.8023
N4	2.7654	1.3849	1.3849		2.4727	2.4727	4.5677	2.7231	2.7231
N5	1.3849	2.7654	1.3849	2.4727		2.4727	2.7231	4.5677	2.7231
N6	1.3849	1.3849	2.7654	2.4727	2.4727		2.7231	2.7231	4.5677
Cl7	1.8023	3.9813	3.9813	4.5677	2.7231	2.7231		5.4388	5.4388
Cl8	3.9813	1.8023	3.9813	2.7231	4.5677	2.7231	5.4388		5.4388
Cl9	3.9813	3.9813	1.8023	2.7231	2.7231	4.5677	5.4388	5.4388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.564	C1	N6	C2	113.564
C2	N4	C3	113.564	N4	C2	N5	63.218
N4	C2	N6	126.436	N4	C2	Cl8	116.782
N4	C3	Cl9	116.782	N5	C1	N6	126.436
N5	C1	Cl7	116.782	N5	C3	Cl9	116.782
N6	C1	Cl7	116.782	N6	C2	Cl8	116.782

All results from a given calculation for C₃Cl₃N₃ (1,3,5-Triazine, 2,4,6-trichloro-)

using model chemistry: MP2/CEP-31G

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 C3Cl3N3 (1,3,5-Triazine, 2,4,6-trichloro-)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₃Cl₃N₃ (1,3,5-Triazine, 2,4,6-trichloro-)