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	hartrees
Energy at 0K	-1657.372119
Energy at 298.15K	-1657.374821
HF Energy	-1655.589804
Nuclear repulsion energy	643.184966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1303	1237	0.00
2	A₁'	997	946	0.00
3	A₁'	413	392	0.00
4	A₂'	1289	1224	0.00
5	A₂'	506	481	0.00
6	A₂"	828	786	9.62
7	A₂"	147	139	0.04
8	E'	1568	1489	493.98
8	E'	1568	1489	493.98
9	E'	1317	1250	302.64
9	E'	1317	1250	302.64
10	E'	875	831	172.52
10	E'	875	831	172.52
11	E'	475	451	0.57
11	E'	475	451	0.57
12	E'	212	201	0.15
12	E'	212	201	0.15
13	E"	677	642	0.00
13	E"	677	642	0.00
14	E"	171	163	0.00
14	E"	171	163	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.277
C2	1.106	-0.638
C3	-1.106	-0.638
N4	0.000	-1.368
N5	-1.185	0.684
N6	1.185	0.684
Cl7	0.000	2.984
Cl8	2.584	-1.492
Cl9	-2.584	-1.492

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2111	2.2111	2.6444	1.3246	1.3246	1.7071	3.7870	3.7870
C2	2.2111		2.2111	1.3246	2.6444	1.3246	3.7870	1.7071	3.7870
C3	2.2111	2.2111		1.3246	1.3246	2.6444	3.7870	3.7870	1.7071
N4	2.6444	1.3246	1.3246		2.3692	2.3692	4.3516	2.5870	2.5870
N5	1.3246	2.6444	1.3246	2.3692		2.3692	2.5869	4.3516	2.5870
N6	1.3246	1.3246	2.6444	2.3692	2.3692		2.5869	2.5870	4.3516
Cl7	1.7071	3.7870	3.7870	4.3516	2.5869	2.5869		5.1680	5.1680
Cl8	3.7870	1.7071	3.7870	2.5870	4.3516	2.5870	5.1680		5.1680
Cl9	3.7870	3.7870	1.7071	2.5870	2.5870	4.3516	5.1680	5.1680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.156	C1	N6	C2	113.156
C2	N4	C3	113.156	N4	C2	N5	63.422
N4	C2	N6	126.844	N4	C2	Cl8	116.578
N4	C3	Cl9	116.578	N5	C1	N6	126.844
N5	C1	Cl7	116.578	N5	C3	Cl9	116.578
N6	C1	Cl7	116.578	N6	C2	Cl8	116.578

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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