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	hartrees
Energy at 0K	-1648.578752
Energy at 298.15K	-1648.581215
HF Energy	-1647.536279
Nuclear repulsion energy	629.972046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1305	1238	0.00
2	A₁'	926	878	0.00
3	A₁'	392	372	0.00
4	A₂'	1002	950	0.00
5	A₂'	479	454	0.00
6	A₂"	813	771	10.85
7	A₂"	144	136	0.10
8	E'	1375	1304	435.71
8	E'	1375	1304	435.71
9	E'	1187	1126	248.01
9	E'	1187	1126	248.01
10	E'	831	787	126.91
10	E'	831	787	126.91
11	E'	465	441	2.59
11	E'	465	441	2.59
12	E'	205	195	0.02
12	E'	205	195	0.02
13	E"	653	619	0.00
13	E"	653	619	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	-1.522
Cl9	-2.637	-1.522

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2830	2.2830	2.7139	1.3586	1.3586	1.7265	3.8755	3.8755
C2	2.2830		2.2830	1.3586	2.7139	1.3586	3.8755	1.7265	3.8755
C3	2.2830	2.2830		1.3586	1.3586	2.7139	3.8755	3.8755	1.7265
N4	2.7139	1.3586	1.3586		2.4176	2.4176	4.4404	2.6397	2.6397
N5	1.3586	2.7139	1.3586	2.4176		2.4176	2.6397	4.4404	2.6397
N6	1.3586	1.3586	2.7139	2.4176	2.4176		2.6397	2.6397	4.4404
Cl7	1.7265	3.8755	3.8755	4.4404	2.6397	2.6397		5.2733	5.2733
Cl8	3.8755	1.7265	3.8755	2.6397	4.4404	2.6397	5.2733		5.2733
Cl9	3.8755	3.8755	1.7265	2.6397	2.6397	4.4404	5.2733	5.2733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	114.322	C1	N6	C2	114.322
C2	N4	C3	114.321	N4	C2	N5	62.839
N4	C2	N6	125.679	N4	C2	Cl8	117.161
N4	C3	Cl9	117.161	N5	C1	N6	125.678
N5	C1	Cl7	117.161	N5	C3	Cl9	117.161
N6	C1	Cl7	117.161	N6	C2	Cl8	117.161

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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