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	hartrees
Energy at 0K	-1656.630890
Energy at 298.15K	-1656.633496
HF Energy	-1655.381632
Nuclear repulsion energy	638.849955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1308	1225	0.00
2	A₁'	996	932	0.00
3	A₁'	411	385	0.00
4	A₂'	1284	1203	0.00
5	A₂'	509	477	0.00
6	A₂"	796	745	12.91
7	A₂"	142	133	0.09
8	E'	1573	1473	481.37
8	E'	1573	1473	481.37
9	E'	1322	1238	286.24
9	E'	1322	1238	286.24
10	E'	877	822	165.45
10	E'	877	822	165.45
11	E'	474	444	0.56
11	E'	474	444	0.56
12	E'	213	199	0.10
12	E'	213	199	0.10
13	E"	646	605	0.00
13	E"	646	605	0.00
14	E"	168	157	0.00
14	E"	168	157	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.287
C2	1.114	-0.643
C3	-1.114	-0.643
N4	0.000	-1.379
N5	-1.194	0.689
N6	1.194	0.689
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		2.2289	2.2289	2.6657	1.3352	1.3352	1.7160	3.8128	3.8128
C2	2.2289		2.2289	1.3352	2.6657	1.3352	3.8128	1.7160	3.8128
C3	2.2289	2.2289		1.3352	1.3352	2.6657	3.8128	3.8128	1.7160
N4	2.6657	1.3352	1.3352		2.3883	2.3883	4.3818	2.6035	2.6035
N5	1.3352	2.6657	1.3352	2.3883		2.3883	2.6035	4.3818	2.6035
N6	1.3352	1.3352	2.6657	2.3883	2.3883		2.6035	2.6035	4.3818
Cl7	1.7160	3.8128	3.8128	4.3818	2.6035	2.6035		5.2011	5.2011
Cl8	3.8128	1.7160	3.8128	2.6035	4.3818	2.6035	5.2011		5.2011
Cl9	3.8128	3.8128	1.7160	2.6035	2.6035	4.3818	5.2011	5.2011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.155	C1	N6	C2	113.155
C2	N4	C3	113.155	N4	C2	N5	63.423
N4	C2	N6	126.845	N4	C2	Cl8	116.577
N4	C3	Cl9	116.577	N5	C1	N6	126.845
N5	C1	Cl7	116.577	N5	C3	Cl9	116.577
N6	C1	Cl7	116.577	N6	C2	Cl8	116.577

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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