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	hartrees
Energy at 0K	-1655.882819
Energy at 298.15K	-1655.885172
HF Energy	-1655.123857
Nuclear repulsion energy	619.506988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1273	1210	0.00
2	A₁'	945	898	0.00
3	A₁'	372	353	0.00
4	A₂'	1106	1051	0.00
5	A₂'	478	454	0.00
6	A₂"	796	756	8.61
7	A₂"	136	129	0.23
8	E'	1437	1365	442.36
8	E'	1437	1365	442.36
9	E'	1220	1159	242.56
9	E'	1220	1159	242.56
10	E'	812	772	123.89
10	E'	812	772	123.89
11	E'	446	423	2.19
11	E'	446	423	2.19
12	E'	197	187	0.01
12	E'	197	187	0.01
13	E"	637	605	0.00
13	E"	637	605	0.00
14	E"	173	164	0.00
14	E"	173	164	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.316
C2	1.140	-0.658
C3	-1.140	-0.658
N4	0.000	-1.398
N5	-1.211	0.699
N6	1.211	0.699
Cl7	0.000	3.110
Cl8	2.693	-1.555
Cl9	-2.693	-1.555

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2791	2.2791	2.7142	1.3590	1.3590	1.7944	3.9366	3.9366
C2	2.2791		2.2791	1.3590	2.7142	1.3590	3.9366	1.7944	3.9366
C3	2.2791	2.2791		1.3590	1.3590	2.7142	3.9366	3.9366	1.7944
N4	2.7142	1.3590	1.3590		2.4220	2.4220	4.5085	2.6980	2.6980
N5	1.3590	2.7142	1.3590	2.4220		2.4220	2.6980	4.5085	2.6980
N6	1.3590	1.3590	2.7142	2.4220	2.4220		2.6980	2.6980	4.5085
Cl7	1.7944	3.9366	3.9366	4.5085	2.6980	2.6980		5.3870	5.3870
Cl8	3.9366	1.7944	3.9366	2.6980	4.5085	2.6980	5.3870		5.3870
Cl9	3.9366	3.9366	1.7944	2.6980	2.6980	4.5085	5.3870	5.3870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.969	C1	N6	C2	113.969
C2	N4	C3	113.969	N4	C2	N5	63.016
N4	C2	N6	126.031	N4	C2	Cl8	116.985
N4	C3	Cl9	116.985	N5	C1	N6	126.031
N5	C1	Cl7	116.984	N5	C3	Cl9	116.984
N6	C1	Cl7	116.984	N6	C2	Cl8	116.984

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

using model chemistry: MP2=FULL/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=FULL/6-31G

States and conformations

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