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	hartrees
Energy at 0K	-1657.170239
Energy at 298.15K	-1657.172871
HF Energy	-1655.576556
Nuclear repulsion energy	641.895273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1291	1229	0.00
2	A₁'	988	940	0.00
3	A₁'	410	390	0.00
4	A₂'	1267	1206	0.00
5	A₂'	507	482	0.00
6	A₂"	810	770	7.89
7	A₂"	144	137	0.01
8	E'	1550	1475	485.89
8	E'	1550	1475	485.89
9	E'	1302	1239	296.13
9	E'	1302	1239	296.13
10	E'	870	828	168.70
10	E'	870	828	168.70
11	E'	472	449	0.69
11	E'	472	449	0.69
12	E'	212	202	0.22
12	E'	212	202	0.22
13	E"	662	630	0.00
13	E"	662	630	0.00
14	E"	168	160	0.00
14	E"	168	160	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.282
C2	1.110	-0.641
C3	-1.110	-0.641
N4	0.000	-1.369
N5	-1.185	0.684
N6	1.185	0.684
Cl7	0.000	2.993
Cl8	2.592	-1.496
Cl9	-2.592	-1.496

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2201	2.2201	2.6505	1.3274	1.3274	1.7110	3.7995	3.7995
C2	2.2201		2.2201	1.3274	2.6505	1.3274	3.7995	1.7110	3.7995
C3	2.2201	2.2201		1.3274	1.3274	2.6505	3.7995	3.7995	1.7110
N4	2.6505	1.3274	1.3274		2.3707	2.3707	4.3615	2.5950	2.5950
N5	1.3274	2.6505	1.3274	2.3707		2.3707	2.5950	4.3615	2.5950
N6	1.3274	1.3274	2.6505	2.3707	2.3707		2.5950	2.5950	4.3615
Cl7	1.7110	3.7995	3.7995	4.3615	2.5950	2.5950		5.1837	5.1837
Cl8	3.7995	1.7110	3.7995	2.5950	4.3615	2.5950	5.1837		5.1837
Cl9	3.7995	3.7995	1.7110	2.5950	2.5950	4.3615	5.1837	5.1837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.496	C1	N6	C2	113.496
C2	N4	C3	113.496	N4	C2	N5	63.252
N4	C2	N6	126.504	N4	C2	Cl8	116.748
N4	C3	Cl9	116.748	N5	C1	N6	126.504
N5	C1	Cl7	116.748	N5	C3	Cl9	116.748
N6	C1	Cl7	116.748	N6	C2	Cl8	116.748

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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