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	hartrees
Energy at 0K	-1656.688093
Energy at 298.15K	-1656.690702
HF Energy	-1655.382166
Nuclear repulsion energy	639.559847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1311	1235	0.00
2	A₁'	998	940	0.00
3	A₁'	412	388	0.00
4	A₂'	1289	1215	0.00
5	A₂'	512	482	0.00
6	A₂"	804	758	12.92
7	A₂"	144	135	0.09
8	E'	1577	1486	484.68
8	E'	1577	1486	484.68
9	E'	1325	1249	285.44
9	E'	1325	1249	285.44
10	E'	879	828	166.07
10	E'	879	828	166.07
11	E'	475	448	0.56
11	E'	475	448	0.56
12	E'	214	201	0.10
12	E'	214	201	0.10
13	E"	653	615	0.00
13	E"	653	615	0.00
14	E"	169	159	0.00
14	E"	169	159	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.286
C2	1.113	-0.643
C3	-1.113	-0.643
N4	0.000	-1.377
N5	-1.193	0.688
N6	1.193	0.688
Cl7	0.000	3.000
Cl8	2.598	-1.500
Cl9	-2.598	-1.500

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2268	2.2268	2.6626	1.3337	1.3337	1.7140	3.8089	3.8089
C2	2.2268		2.2268	1.3337	2.6626	1.3337	3.8089	1.7140	3.8089
C3	2.2268	2.2268		1.3337	1.3337	2.6626	3.8089	3.8089	1.7140
N4	2.6626	1.3337	1.3337		2.3850	2.3850	4.3767	2.6007	2.6007
N5	1.3337	2.6626	1.3337	2.3850		2.3850	2.6007	4.3767	2.6007
N6	1.3337	1.3337	2.6626	2.3850	2.3850		2.6007	2.6007	4.3767
Cl7	1.7140	3.8089	3.8089	4.3767	2.6007	2.6007		5.1956	5.1956
Cl8	3.8089	1.7140	3.8089	2.6007	4.3767	2.6007	5.1956		5.1956
Cl9	3.8089	3.8089	1.7140	2.6007	2.6007	4.3767	5.1956	5.1956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.199	C1	N6	C2	113.199
C2	N4	C3	113.199	N4	C2	N5	63.401
N4	C2	N6	126.801	N4	C2	Cl8	116.599
N4	C3	Cl9	116.599	N5	C1	N6	126.801
N5	C1	Cl7	116.599	N5	C3	Cl9	116.599
N6	C1	Cl7	116.599	N6	C2	Cl8	116.599

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-)