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	hartrees
Energy at 0K	-1656.754831
Energy at 298.15K	-1656.757472
HF Energy	-1655.467038
Nuclear repulsion energy	636.907705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1323	1253	0.00
2	A₁'	1009	956	0.00
3	A₁'	408	386	0.00
4	A₂'	1152	1091	0.00
5	A₂'	499	473	0.00
6	A₂"	817	774	18.71
7	A₂"	143	135	0.07
8	E'	1600	1516	554.69
8	E'	1600	1516	554.69
9	E'	1341	1271	303.74
9	E'	1341	1271	303.74
10	E'	879	832	144.01
10	E'	879	832	144.01
11	E'	473	448	0.61
11	E'	473	448	0.61
12	E'	209	198	0.05
12	E'	209	198	0.05
13	E"	661	626	0.00
13	E"	661	626	0.00
14	E"	171	162	0.00
14	E"	171	162	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.285
C2	1.113	-0.642
C3	-1.113	-0.642
N4	0.000	-1.383
N5	-1.198	0.692
N6	1.198	0.692
Cl7	0.000	3.013
Cl8	2.609	-1.506
Cl9	-2.609	-1.506

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2256	2.2256	2.6684	1.3369	1.3369	1.7278	3.8208	3.8208
C2	2.2256		2.2256	1.3369	2.6684	1.3369	3.8208	1.7278	3.8208
C3	2.2256	2.2256		1.3369	1.3369	2.6684	3.8208	3.8208	1.7278
N4	2.6684	1.3369	1.3369		2.3962	2.3962	4.3962	2.6120	2.6120
N5	1.3369	2.6684	1.3369	2.3962		2.3962	2.6120	4.3962	2.6120
N6	1.3369	1.3369	2.6684	2.3962	2.3962		2.6120	2.6120	4.3962
Cl7	1.7278	3.8208	3.8208	4.3962	2.6120	2.6120		5.2182	5.2182
Cl8	3.8208	1.7278	3.8208	2.6120	4.3962	2.6120	5.2182		5.2182
Cl9	3.8208	3.8208	1.7278	2.6120	2.6120	4.3962	5.2182	5.2182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.683	C1	N6	C2	112.683
C2	N4	C3	112.683	N4	C2	N5	63.659
N4	C2	N6	127.317	N4	C2	Cl8	116.341
N4	C3	Cl9	116.341	N5	C1	N6	127.317
N5	C1	Cl7	116.341	N5	C3	Cl9	116.341
N6	C1	Cl7	116.341	N6	C2	Cl8	116.341

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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