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	hartrees
Energy at 0K	-1655.728796
Energy at 298.15K	-1655.731493
HF Energy	-1655.133114
Nuclear repulsion energy	627.564269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1360	1272	0.00
2	A₁'	1025	958	0.00
3	A₁'	396	371	0.00
4	A₂'	1099	1027	0.00
5	A₂'	500	467	0.00
6	A₂"	868	811	23.68
7	A₂"	145	136	0.31
8	E'	1592	1489	568.85
8	E'	1592	1489	568.85
9	E'	1345	1258	262.25
9	E'	1345	1258	262.25
10	E'	871	815	120.41
10	E'	871	815	120.41
11	E'	471	441	0.55
11	E'	471	441	0.55
12	E'	205	192	0.00
12	E'	205	192	0.00
13	E"	688	643	0.00
13	E"	688	643	0.00
14	E"	194	182	0.00
14	E"	194	182	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.301
C2	1.127	-0.651
C3	-1.127	-0.651
N4	0.000	-1.370
N5	-1.187	0.685
N6	1.187	0.685
Cl7	0.000	3.075
Cl8	2.663	-1.537
Cl9	-2.663	-1.537

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2541	2.2541	2.6717	1.3372	1.3372	1.7735	3.8924	3.8924
C2	2.2541		2.2541	1.3372	2.6717	1.3372	3.8924	1.7735	3.8924
C3	2.2541	2.2541		1.3372	1.3372	2.6717	3.8924	3.8924	1.7735
N4	2.6717	1.3372	1.3372		2.3735	2.3735	4.4453	2.6682	2.6682
N5	1.3372	2.6717	1.3372	2.3735		2.3735	2.6682	4.4453	2.6682
N6	1.3372	1.3372	2.6717	2.3735	2.3735		2.6682	2.6682	4.4453
Cl7	1.7735	3.8924	3.8924	4.4453	2.6682	2.6682		5.3259	5.3259
Cl8	3.8924	1.7735	3.8924	2.6682	4.4453	2.6682	5.3259		5.3259
Cl9	3.8924	3.8924	1.7735	2.6682	2.6682	4.4453	5.3259	5.3259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	114.883	C1	N6	C2	114.883
C2	N4	C3	114.883	N4	C2	N5	62.559
N4	C2	N6	125.117	N4	C2	Cl8	117.441
N4	C3	Cl9	117.441	N5	C1	N6	125.117
N5	C1	Cl7	117.441	N5	C3	Cl9	117.441
N6	C1	Cl7	117.441	N6	C2	Cl8	117.441

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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