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	hartrees
Energy at 0K	-1658.584154
Energy at 298.15K	-1658.575749
HF Energy	-1655.385464
Nuclear repulsion energy	645.344639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1422	1340	0.00
2	A₁'	1105	1041	0.00
3	A₁'	439	413	0.00
4	A₂'	1200	1131	0.00
5	A₂'	547	515	0.00
6	A₂"	913	860	43.52
7	A₂"	154	145	0.20
8	E'	1749	1648	820.54
8	E'	1749	1648	820.54
9	E'	1459	1375	371.23
9	E'	1459	1375	371.23
10	E'	951	896	162.98
10	E'	951	896	162.98
11	E'	510	481	0.57
11	E'	510	481	0.57
12	E'	225	212	0.08
12	E'	225	212	0.08
13	E"	734	692	0.00
13	E"	734	692	0.00
14	E"	198	187	0.00
14	E"	198	187	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.286
C2	1.113	-0.643
C3	-1.113	-0.643
N4	0.000	-1.377
N5	-1.193	0.688
N6	1.193	0.688
Cl7	0.000	3.000
Cl8	2.598	-1.500
Cl9	-2.598	-1.500

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2268	2.2268	2.6626	1.3337	1.3337	1.7140	3.8089	3.8089
C2	2.2268		2.2268	1.3337	2.6626	1.3337	3.8089	1.7140	3.8089
C3	2.2268	2.2268		1.3337	1.3337	2.6626	3.8089	3.8089	1.7140
N4	2.6626	1.3337	1.3337		2.3850	2.3850	4.3767	2.6007	2.6007
N5	1.3337	2.6626	1.3337	2.3850		2.3850	2.6007	4.3767	2.6007
N6	1.3337	1.3337	2.6626	2.3850	2.3850		2.6007	2.6007	4.3767
Cl7	1.7140	3.8089	3.8089	4.3767	2.6007	2.6007		5.1956	5.1956
Cl8	3.8089	1.7140	3.8089	2.6007	4.3767	2.6007	5.1956		5.1956
Cl9	3.8089	3.8089	1.7140	2.6007	2.6007	4.3767	5.1956	5.1956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.725	C1	N6	C2	113.725
C2	N4	C3	113.725	N4	C2	N5	63.137
N4	C2	N6	126.275	N4	C2	Cl8	116.863
N4	C3	Cl9	116.863	N5	C1	N6	126.275
N5	C1	Cl7	116.863	N5	C3	Cl9	116.863
N6	C1	Cl7	116.863	N6	C2	Cl8	116.863

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

using model chemistry: G3

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: G3

States and conformations

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