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	hartrees
Energy at 0K	-1656.809936
Energy at 298.15K	-1656.812473
HF Energy	-1655.464351
Nuclear repulsion energy	634.677674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	1295	1268
2	A₁'	982	961
3	A₁'	401	392
4	A₂'	1182	1157
5	A₂'	492	481
6	A₂"	793	776
7	A₂"	139	136
8	E'	1550	1517
8	E'	1550	1517
9	E'	1303	1276
9	E'	1303	1276
10	E'	860	842
10	E'	860	842
11	E'	465	455
11	E'	464	454
12	E'	207	203
12	E'	207	203
13	E"	643	629
13	E"	643	629
14	E"	166	162
14	E"	166	162

Atom	x (Å)	y (Å)
C1	0.000	1.289
C2	1.116	-0.645
C3	-1.116	-0.645
N4	0.000	-1.392
N5	-1.206	0.696
N6	1.206	0.696
Cl7	0.000	3.021
Cl8	2.617	-1.511
Cl9	-2.617	-1.511

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2326	2.2326	2.6811	1.3435	1.3435	1.7324	3.8321	3.8321
C2	2.2326		2.2326	1.3435	2.6811	1.3435	3.8321	1.7324	3.8321
C3	2.2326	2.2326		1.3435	1.3435	2.6811	3.8321	3.8321	1.7324
N4	2.6811	1.3435	1.3435		2.4111	2.4111	4.4135	2.6193	2.6193
N5	1.3435	2.6811	1.3435	2.4111		2.4111	2.6193	4.4135	2.6193
N6	1.3435	1.3435	2.6811	2.4111	2.4111		2.6193	2.6193	4.4135
Cl7	1.7324	3.8321	3.8321	4.4135	2.6193	2.6193		5.2332	5.2332
Cl8	3.8321	1.7324	3.8321	2.6193	4.4135	2.6193	5.2332		5.2332
Cl9	3.8321	3.8321	1.7324	2.6193	2.6193	4.4135	5.2332	5.2332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.383	C1	N6	C2	112.383
C2	N4	C3	112.383	N4	C2	N5	63.808
N4	C2	N6	127.617	N4	C2	Cl8	116.192
N4	C3	Cl9	116.192	N5	C1	N6	127.617
N5	C1	Cl7	116.192	N5	C3	Cl9	116.192
N6	C1	Cl7	116.192	N6	C2	Cl8	116.192

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

using model chemistry: CCSD(T)/cc-pVDZ

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: CCSD(T)/cc-pVDZ

States and conformations

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