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	hartrees
Energy at 0K	-1656.844812
Energy at 298.15K	-1656.847320
HF Energy	-1655.528121
Nuclear repulsion energy	639.429395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1296	1228	0.00
2	A₁'	1003	951	0.00
3	A₁'	408	387	0.00
4	A₂'	1250	1185	0.00
5	A₂'	508	482	0.00
6	A₂"	733	695	7.44
7	A₂"	136	129	0.06
8	E'	1553	1472	497.24
8	E'	1553	1472	497.24
9	E'	1304	1236	289.62
9	E'	1304	1236	289.62
10	E'	876	831	162.47
10	E'	876	831	162.47
11	E'	475	451	1.94
11	E'	475	451	1.94
12	E'	212	201	0.09
12	E'	212	201	0.09
13	E"	603	572	0.00
13	E"	603	572	0.00
14	E"	156	148	0.00
14	E"	156	148	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.280
C2	1.109	-0.640
C3	-1.109	-0.640
N4	0.000	-1.374
N5	-1.190	0.687
N6	1.190	0.687
Cl7	0.000	3.003
Cl8	2.601	-1.501
Cl9	-2.601	-1.501

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2174	2.2174	2.6538	1.3294	1.3294	1.7228	3.8081	3.8081
C2	2.2174		2.2174	1.3294	2.6538	1.3294	3.8081	1.7228	3.8081
C3	2.2174	2.2174		1.3294	1.3294	2.6538	3.8081	3.8081	1.7228
N4	2.6538	1.3294	1.3294		2.3791	2.3791	4.3766	2.6038	2.6038
N5	1.3294	2.6538	1.3294	2.3791		2.3791	2.6038	4.3766	2.6038
N6	1.3294	1.3294	2.6538	2.3791	2.3791		2.6038	2.6038	4.3766
Cl7	1.7228	3.8081	3.8081	4.3766	2.6038	2.6038		5.2013	5.2013
Cl8	3.8081	1.7228	3.8081	2.6038	4.3766	2.6038	5.2013		5.2013
Cl9	3.8081	3.8081	1.7228	2.6038	2.6038	4.3766	5.2013	5.2013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.027	C1	N6	C2	113.027
C2	N4	C3	113.027	N4	C2	N5	63.487
N4	C2	N6	126.973	N4	C2	Cl8	116.513
N4	C3	Cl9	116.513	N5	C1	N6	126.973
N5	C1	Cl7	116.513	N5	C3	Cl9	116.513
N6	C1	Cl7	116.513	N6	C2	Cl8	116.513

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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