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	hartrees
Energy at 0K	-1658.445172
Energy at 298.15K
HF Energy	-1658.445172
Nuclear repulsion energy	641.435045

Atom	x (Å)	y (Å)
C1	0.000	1.279
C2	1.107	-0.639
C3	-1.107	-0.639
N4	0.000	-1.369
N5	-1.186	0.685
N6	1.186	0.685
Cl7	0.000	2.993
Cl8	2.592	-1.497
Cl9	-2.592	-1.497

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2147	2.2147	2.6477	1.3262	1.3262	1.7147	3.7977	3.7977
C2	2.2147		2.2147	1.3262	2.6477	1.3262	3.7977	1.7147	3.7977
C3	2.2147	2.2147		1.3262	1.3262	2.6477	3.7977	3.7977	1.7147
N4	2.6477	1.3262	1.3262		2.3712	2.3712	4.3624	2.5954	2.5954
N5	1.3262	2.6477	1.3262	2.3712		2.3712	2.5954	4.3624	2.5954
N6	1.3262	1.3262	2.6477	2.3712	2.3712		2.5954	2.5954	4.3624
Cl7	1.7147	3.7977	3.7977	4.3624	2.5954	2.5954		5.1846	5.1846
Cl8	3.7977	1.7147	3.7977	2.5954	4.3624	2.5954	5.1846		5.1846
Cl9	3.7977	3.7977	1.7147	2.5954	2.5954	4.3624	5.1846	5.1846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.234	C1	N6	C2	113.234
C2	N4	C3	113.234	N4	C2	N5	63.383
N4	C2	N6	126.766	N4	C2	Cl8	116.617
N4	C3	Cl9	116.617	N5	C1	N6	126.766
N5	C1	Cl7	116.617	N5	C3	Cl9	116.617
N6	C1	Cl7	116.617	N6	C2	Cl8	116.617

Number	Element	Mulliken
1	C	-0.249
2	C	-0.249
3	C	-0.249
4	N	0.013
5	N	0.013
6	N	0.013
7	Cl	0.236
8	Cl	0.236
9	Cl	0.236

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

using model chemistry: HSEh1PBE/6-31+G**

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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<r²>	570.072
(<r²>)^1/2	23.876

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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