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	hartrees
Energy at 0K	-1656.850601
Energy at 298.15K	-1656.853200
HF Energy	-1655.508711
Nuclear repulsion energy	639.592065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1322	1266	0.00
2	A₁'	1010	967	0.00
3	A₁'	411	393	0.00
4	A₂'	1131	1083	0.00
5	A₂'	503	482	0.00
6	A₂"	813	778	17.51
7	A₂"	141	135	0.02
8	E'	1584	1516	604.85
8	E'	1584	1516	604.85
9	E'	1334	1278	339.24
9	E'	1334	1278	339.24
10	E'	883	845	150.91
10	E'	883	845	150.91
11	E'	475	455	0.63
11	E'	475	455	0.63
12	E'	211	202	0.10
12	E'	211	202	0.10
13	E"	656	628	0.00
13	E"	656	628	0.00
14	E"	164	157	0.00
14	E"	164	157	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	-1.376
N5	-1.191	0.688
N6	1.191	0.688
Cl7	0.000	3.001
Cl8	2.599	-1.500
Cl9	-2.599	-1.500

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2203	2.2203	2.6576	1.3313	1.3313	1.7188	3.8071	3.8071
C2	2.2203		2.2203	1.3313	2.6576	1.3313	3.8071	1.7188	3.8071
C3	2.2203	2.2203		1.3313	1.3313	2.6576	3.8071	3.8071	1.7188
N4	2.6576	1.3313	1.3313		2.3828	2.3828	4.3764	2.6017	2.6017
N5	1.3313	2.6576	1.3313	2.3828		2.3828	2.6017	4.3764	2.6017
N6	1.3313	1.3313	2.6576	2.3828	2.3828		2.6017	2.6017	4.3764
Cl7	1.7188	3.8071	3.8071	4.3764	2.6017	2.6017		5.1973	5.1973
Cl8	3.8071	1.7188	3.8071	2.6017	4.3764	2.6017	5.1973		5.1973
Cl9	3.8071	3.8071	1.7188	2.6017	2.6017	4.3764	5.1973	5.1973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.004	C1	N6	C2	113.004
C2	N4	C3	113.004	N4	C2	N5	63.498
N4	C2	N6	126.996	N4	C2	Cl8	116.502
N4	C3	Cl9	116.502	N5	C1	N6	126.996
N5	C1	Cl7	116.502	N5	C3	Cl9	116.502
N6	C1	Cl7	116.502	N6	C2	Cl8	116.502

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

using model chemistry: QCISD/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 C3Cl3N3 (1,3,5-Triazine, 2,4,6-trichloro-)

using model chemistry: QCISD/6-311G*

States and conformations

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