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	hartrees
Energy at 0K	-1656.720804
Energy at 298.15K	-1656.723323
HF Energy	-1655.380040
Nuclear repulsion energy	636.873096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	1305	1256
2	A₁'	987	950
3	A₁'	406	391
4	A₂'	1187	1142
5	A₂'	502	483
6	A₂"	790	760
7	A₂"	139	134
8	E'	1557	1498
8	E'	1557	1498
9	E'	1313	1263
9	E'	1313	1263
10	E'	871	838
10	E'	871	838
11	E'	469	452
11	E'	469	451
12	E'	210	202
12	E'	210	202
13	E"	641	617
13	E"	641	617
14	E"	165	159
14	E"	165	159

Atom	x (Å)	y (Å)
C1	0.000	1.288
C2	1.116	-0.644
C3	-1.116	-0.644
N4	0.000	-1.384
N5	-1.199	0.692
N6	1.199	0.692
Cl7	0.000	3.012
Cl8	2.609	-1.506
Cl9	-2.609	-1.506

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2317	2.2317	2.6728	1.3390	1.3390	1.7236	3.8228	3.8228
C2	2.2317		2.2317	1.3390	2.6728	1.3390	3.8228	1.7236	3.8228
C3	2.2317	2.2317		1.3390	1.3390	2.6728	3.8228	3.8228	1.7236
N4	2.6728	1.3390	1.3390		2.3977	2.3977	4.3964	2.6114	2.6114
N5	1.3390	2.6728	1.3390	2.3977		2.3977	2.6114	4.3964	2.6114
N6	1.3390	1.3390	2.6728	2.3977	2.3977		2.6114	2.6114	4.3964
Cl7	1.7236	3.8228	3.8228	4.3964	2.6114	2.6114		5.2171	5.2171
Cl8	3.8228	1.7236	3.8228	2.6114	4.3964	2.6114	5.2171		5.2171
Cl9	3.8228	3.8228	1.7236	2.6114	2.6114	4.3964	5.2171	5.2171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.892	C1	N6	C2	112.892
C2	N4	C3	112.892	N4	C2	N5	63.554
N4	C2	N6	127.108	N4	C2	Cl8	116.446
N4	C3	Cl9	116.446	N5	C1	N6	127.108
N5	C1	Cl7	116.446	N5	C3	Cl9	116.446
N6	C1	Cl7	116.446	N6	C2	Cl8	116.446

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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