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	hartrees
Energy at 0K	-1656.731187
Energy at 298.15K	-1656.733872
HF Energy	-1655.391121
Nuclear repulsion energy	640.802378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1338	1246	0.00
2	A₁'	1033	963	0.00
3	A₁'	419	390	0.00
4	A₂'	1143	1064	0.00
5	A₂'	516	481	0.00
6	A₂"	803	748	12.64
7	A₂"	144	134	0.04
8	E'	1631	1519	603.72
8	E'	1631	1519	603.72
9	E'	1365	1271	303.68
9	E'	1365	1271	303.68
10	E'	900	839	146.44
10	E'	900	839	146.44
11	E'	485	452	0.61
11	E'	485	452	0.61
12	E'	215	200	0.22
12	E'	215	200	0.22
13	E"	649	605	0.00
13	E"	649	605	0.00
14	E"	172	160	0.00
14	E"	172	160	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	-1.369
N5	-1.185	0.684
N6	1.185	0.684
Cl7	0.000	3.001
Cl8	2.599	-1.501
Cl9	-2.599	-1.501

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2256	2.2256	2.6535	1.3287	1.3287	1.7162	3.8098	3.8098
C2	2.2256		2.2256	1.3287	2.6535	1.3287	3.8098	1.7162	3.8098
C3	2.2256	2.2256		1.3287	1.3287	2.6535	3.8098	3.8098	1.7162
N4	2.6535	1.3287	1.3287		2.3705	2.3705	4.3698	2.6024	2.6024
N5	1.3287	2.6535	1.3287	2.3705		2.3705	2.6024	4.3698	2.6024
N6	1.3287	1.3287	2.6535	2.3705	2.3705		2.6024	2.6024	4.3698
Cl7	1.7162	3.8098	3.8098	4.3698	2.6024	2.6024		5.1982	5.1982
Cl8	3.8098	1.7162	3.8098	2.6024	4.3698	2.6024	5.1982		5.1982
Cl9	3.8098	3.8098	1.7162	2.6024	2.6024	4.3698	5.1982	5.1982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.748	C1	N6	C2	113.748
C2	N4	C3	113.748	N4	C2	N5	63.126
N4	C2	N6	126.252	N4	C2	Cl8	116.874
N4	C3	Cl9	116.874	N5	C1	N6	126.252
N5	C1	Cl7	116.874	N5	C3	Cl9	116.874
N6	C1	Cl7	116.874	N6	C2	Cl8	116.874

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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