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	hartrees
Energy at 0K	-1656.652041
Energy at 298.15K	-1656.654721
HF Energy	-1655.383199
Nuclear repulsion energy	640.093704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1341	1259	0.00
2	A₁'	1029	966	0.00
3	A₁'	417	391	0.00
4	A₂'	1138	1069	0.00
5	A₂'	514	483	0.00
6	A₂"	820	770	20.01
7	A₂"	145	136	0.10
8	E'	1634	1534	567.27
8	E'	1634	1534	567.27
9	E'	1369	1285	303.33
9	E'	1369	1285	303.33
10	E'	897	842	149.02
10	E'	897	842	149.02
11	E'	482	452	0.47
11	E'	482	452	0.47
12	E'	214	201	0.10
12	E'	214	201	0.10
13	E"	664	623	0.00
13	E"	664	623	0.00
14	E"	177	166	0.00
14	E"	177	166	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.282
C2	1.110	-0.641
C3	-1.110	-0.641
N4	0.000	-1.372
N5	-1.189	0.686
N6	1.189	0.686
Cl7	0.000	2.999
Cl8	2.597	-1.500
Cl9	-2.597	-1.500

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2204	2.2204	2.6544	1.3295	1.3295	1.7173	3.8058	3.8058
C2	2.2204		2.2204	1.3295	2.6544	1.3295	3.8058	1.7173	3.8058
C3	2.2204	2.2204		1.3295	1.3295	2.6544	3.8058	3.8058	1.7173
N4	2.6544	1.3295	1.3295		2.3771	2.3771	4.3717	2.6005	2.6005
N5	1.3295	2.6544	1.3295	2.3771		2.3771	2.6005	4.3717	2.6005
N6	1.3295	1.3295	2.6544	2.3771	2.3771		2.6005	2.6005	4.3717
Cl7	1.7173	3.8058	3.8058	4.3717	2.6005	2.6005		5.1949	5.1949
Cl8	3.8058	1.7173	3.8058	2.6005	4.3717	2.6005	5.1949		5.1949
Cl9	3.8058	3.8058	1.7173	2.6005	2.6005	4.3717	5.1949	5.1949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.242	C1	N6	C2	113.242
C2	N4	C3	113.242	N4	C2	N5	63.379
N4	C2	N6	126.758	N4	C2	Cl8	116.621
N4	C3	Cl9	116.621	N5	C1	N6	126.758
N5	C1	Cl7	116.621	N5	C3	Cl9	116.621
N6	C1	Cl7	116.621	N6	C2	Cl8	116.621

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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