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	hartrees
Energy at 0K	-1648.532308
Energy at 298.15K	-1648.534767
HF Energy	-1647.536114
Nuclear repulsion energy	629.827152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1305	1241	0.00
2	A₁'	926	880	0.00
3	A₁'	392	373	0.00
4	A₂'	1000	951	0.00
5	A₂'	479	456	0.00
6	A₂"	812	773	10.91
7	A₂"	143	136	0.10
8	E'	1374	1307	435.22
8	E'	1374	1307	435.22
9	E'	1187	1129	248.05
9	E'	1187	1129	248.05
10	E'	830	790	126.90
10	E'	830	790	126.90
11	E'	465	443	2.60
11	E'	465	443	2.60
12	E'	205	195	0.02
12	E'	205	195	0.02
13	E"	652	620	0.00
13	E"	652	620	0.00
14	E"	178	169	0.00
14	E"	178	169	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.318
C2	1.142	-0.659
C3	-1.142	-0.659
N4	0.000	-1.396
N5	-1.209	0.698
N6	1.209	0.698
Cl7	0.000	3.045
Cl8	2.637	-1.523
Cl9	-2.637	-1.523

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2835	2.2835	2.7145	1.3589	1.3589	1.7269	3.8764	3.8764
C2	2.2835		2.2835	1.3589	2.7145	1.3589	3.8764	1.7269	3.8764
C3	2.2835	2.2835		1.3589	1.3589	2.7145	3.8764	3.8764	1.7269
N4	2.7145	1.3589	1.3589		2.4182	2.4182	4.4414	2.6403	2.6403
N5	1.3589	2.7145	1.3589	2.4182		2.4182	2.6403	4.4414	2.6403
N6	1.3589	1.3589	2.7145	2.4182	2.4182		2.6403	2.6403	4.4414
Cl7	1.7269	3.8764	3.8764	4.4414	2.6403	2.6403		5.2745	5.2745
Cl8	3.8764	1.7269	3.8764	2.6403	4.4414	2.6403	5.2745		5.2745
Cl9	3.8764	3.8764	1.7269	2.6403	2.6403	4.4414	5.2745	5.2745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	114.318	C1	N6	C2	114.318
C2	N4	C3	114.318	N4	C2	N5	62.841
N4	C2	N6	125.682	N4	C2	Cl8	117.159
N4	C3	Cl9	117.159	N5	C1	N6	125.683
N5	C1	Cl7	117.159	N5	C3	Cl9	117.159
N6	C1	Cl7	117.159	N6	C2	Cl8	117.159

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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