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	hartrees
Energy at 0K	-1656.774958
Energy at 298.15K	-1656.777510
HF Energy	-1655.380727
Nuclear repulsion energy	637.551165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	1309	1270
2	A₁'	990	961
3	A₁'	407	395
4	A₂'	1193	1158
5	A₂'	505	490
6	A₂"	799	775
7	A₂"	141	137
8	E'	1562	1516
8	E'	1562	1516
9	E'	1317	1279
9	E'	1317	1279
10	E'	873	847
10	E'	873	847
11	E'	471	457
11	E'	470	457
12	E'	211	205
12	E'	211	205
13	E"	648	629
13	E"	648	629
14	E"	168	163
14	E"	167	163

Atom	x (Å)	y (Å)
C1	0.000	1.287
C2	1.115	-0.644
C3	-1.115	-0.644
N4	0.000	-1.382
N5	-1.197	0.691
N6	1.197	0.691
Cl7	0.000	3.009
Cl8	2.606	-1.504
Cl9	-2.606	-1.504

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2295	2.2295	2.6695	1.3373	1.3373	1.7217	3.8189	3.8189
C2	2.2295		2.2295	1.3373	2.6695	1.3373	3.8189	1.7217	3.8189
C3	2.2295	2.2295		1.3373	1.3373	2.6695	3.8189	3.8189	1.7217
N4	2.6695	1.3373	1.3373		2.3941	2.3941	4.3912	2.6087	2.6087
N5	1.3373	2.6695	1.3373	2.3941		2.3941	2.6087	4.3912	2.6087
N6	1.3373	1.3373	2.6695	2.3941	2.3941		2.6087	2.6087	4.3912
Cl7	1.7217	3.8189	3.8189	4.3912	2.6087	2.6087		5.2117	5.2117
Cl8	3.8189	1.7217	3.8189	2.6087	4.3912	2.6087	5.2117		5.2117
Cl9	3.8189	3.8189	1.7217	2.6087	2.6087	4.3912	5.2117	5.2117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.942	C1	N6	C2	112.942
C2	N4	C3	112.942	N4	C2	N5	63.529
N4	C2	N6	127.058	N4	C2	Cl8	116.471
N4	C3	Cl9	116.471	N5	C1	N6	127.058
N5	C1	Cl7	116.471	N5	C3	Cl9	116.471
N6	C1	Cl7	116.471	N6	C2	Cl8	116.471

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/6-31G*

States and conformations

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