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	hartrees
Energy at 0K	-1656.730817
Energy at 298.15K	-1656.733300
HF Energy	-1655.379106
Nuclear repulsion energy	636.017886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	1292	1233
2	A₁'	977	933
3	A₁'	403	384
4	A₂'	1224	1169
5	A₂'	499	477
6	A₂"	786	751
7	A₂"	138	132
8	E'	1536	1466
8	E'	1535	1466
9	E'	1296	1237
9	E'	1296	1237
10	E'	860	822
10	E'	860	821
11	E'	466	445
11	E'	466	445
12	E'	209	199
12	E'	209	199
13	E"	638	609
13	E"	638	609
14	E"	163	156
14	E"	163	156

Atom	x (Å)	y (Å)
C1	0.000	1.290
C2	1.117	-0.645
C3	-1.117	-0.645
N4	0.000	-1.387
N5	-1.201	0.693
N6	1.201	0.693
Cl7	0.000	3.016
Cl8	2.612	-1.508
Cl9	-2.612	-1.508

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2348	2.2348	2.6770	1.3411	1.3411	1.7256	3.8277	3.8277
C2	2.2348		2.2348	1.3411	2.6770	1.3411	3.8277	1.7256	3.8277
C3	2.2348	2.2348		1.3411	1.3411	2.6770	3.8277	3.8277	1.7256
N4	2.6770	1.3411	1.3411		2.4019	2.4019	4.4026	2.6146	2.6146
N5	1.3411	2.6770	1.3411	2.4019		2.4019	2.6146	4.4026	2.6146
N6	1.3411	1.3411	2.6770	2.4019	2.4019		2.6146	2.6146	4.4026
Cl7	1.7256	3.8277	3.8277	4.4026	2.6146	2.6146		5.2235	5.2235
Cl8	3.8277	1.7256	3.8277	2.6146	4.4026	2.6146	5.2235		5.2235
Cl9	3.8277	3.8277	1.7256	2.6146	2.6146	4.4026	5.2235	5.2235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.853	C1	N6	C2	112.853
C2	N4	C3	112.853	N4	C2	N5	63.574
N4	C2	N6	127.147	N4	C2	Cl8	116.426
N4	C3	Cl9	116.426	N5	C1	N6	127.147
N5	C1	Cl7	116.426	N5	C3	Cl9	116.426
N6	C1	Cl7	116.426	N6	C2	Cl8	116.426

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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