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	hartrees
Energy at 0K	-1657.030474
Energy at 298.15K	-1657.033001
HF Energy	-1655.528466
Nuclear repulsion energy	639.858416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1298	1237	0.00
2	A₁'	1005	957	0.00
3	A₁'	409	390	0.00
4	A₂'	1253	1194	0.00
5	A₂'	510	485	0.00
6	A₂"	738	703	7.44
7	A₂"	137	130	0.06
8	E'	1556	1482	500.74
8	E'	1556	1482	500.74
9	E'	1307	1245	288.73
9	E'	1307	1245	288.73
10	E'	878	837	162.02
10	E'	878	837	162.02
11	E'	476	454	1.82
11	E'	476	454	1.82
12	E'	212	202	0.10
12	E'	212	202	0.10
13	E"	608	580	0.00
13	E"	608	580	0.00
14	E"	157	149	0.00
14	E"	157	149	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.280
C2	1.108	-0.640
C3	-1.108	-0.640
N4	0.000	-1.372
N5	-1.188	0.686
N6	1.188	0.686
Cl7	0.000	3.001
Cl8	2.599	-1.501
Cl9	-2.599	-1.501

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2162	2.2162	2.6516	1.3282	1.3282	1.7217	3.8059	3.8059
C2	2.2162		2.2162	1.3282	2.6516	1.3282	3.8059	1.7217	3.8059
C3	2.2162	2.2162		1.3282	1.3282	2.6516	3.8059	3.8059	1.7217
N4	2.6516	1.3282	1.3282		2.3765	2.3765	4.3733	2.6023	2.6023
N5	1.3282	2.6516	1.3282	2.3765		2.3765	2.6023	4.3733	2.6023
N6	1.3282	1.3282	2.6516	2.3765	2.3765		2.6023	2.6023	4.3733
Cl7	1.7217	3.8059	3.8059	4.3733	2.6023	2.6023		5.1983	5.1983
Cl8	3.8059	1.7217	3.8059	2.6023	4.3733	2.6023	5.1983		5.1983
Cl9	3.8059	3.8059	1.7217	2.6023	2.6023	4.3733	5.1983	5.1983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.080	C1	N6	C2	113.080
C2	N4	C3	113.080	N4	C2	N5	63.460
N4	C2	N6	126.920	N4	C2	Cl8	116.540
N4	C3	Cl9	116.540	N5	C1	N6	126.920
N5	C1	Cl7	116.540	N5	C3	Cl9	116.540
N6	C1	Cl7	116.540	N6	C2	Cl8	116.540

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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