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	hartrees
Energy at 0K	-1655.889884
Energy at 298.15K	-1655.892243
HF Energy	-1655.125596
Nuclear repulsion energy	619.951138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1289	1242	0.00
2	A₁'	957	923	0.00
3	A₁'	370	357	0.00
4	A₂'	1008	972	0.00
5	A₂'	474	457	0.00
6	A₂"	807	778	18.20
7	A₂"	136	131	0.23
8	E'	1474	1420	489.74
8	E'	1474	1420	489.74
9	E'	1254	1209	232.99
9	E'	1254	1209	232.99
10	E'	819	789	112.61
10	E'	819	789	112.61
11	E'	444	428	1.16
11	E'	444	428	1.16
12	E'	196	189	0.00
12	E'	196	189	0.00
13	E"	643	620	0.00
13	E"	643	620	0.00
14	E"	175	169	0.00
14	E"	175	169	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.313
C2	1.137	-0.656
C3	-1.137	-0.656
N4	0.000	-1.392
N5	-1.205	0.696
N6	1.205	0.696
Cl7	0.000	3.111
Cl8	2.694	-1.556
Cl9	-2.694	-1.556

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2742	2.2742	2.7049	1.3542	1.3542	1.7980	3.9354	3.9354
C2	2.2742		2.2742	1.3542	2.7049	1.3542	3.9354	1.7980	3.9354
C3	2.2742	2.2742		1.3542	1.3542	2.7049	3.9354	3.9354	1.7980
N4	2.7049	1.3542	1.3542		2.4109	2.4109	4.5030	2.6992	2.6992
N5	1.3542	2.7049	1.3542	2.4109		2.4109	2.6992	4.5030	2.6992
N6	1.3542	1.3542	2.7049	2.4109	2.4109		2.6992	2.6992	4.5030
Cl7	1.7980	3.9354	3.9354	4.5030	2.6992	2.6992		5.3885	5.3885
Cl8	3.9354	1.7980	3.9354	2.6992	4.5030	2.6992	5.3885		5.3885
Cl9	3.9354	3.9354	1.7980	2.6992	2.6992	4.5030	5.3885	5.3885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	114.212	C1	N6	C2	114.212
C2	N4	C3	114.212	N4	C2	N5	62.894
N4	C2	N6	125.788	N4	C2	Cl8	117.106
N4	C3	Cl9	117.106	N5	C1	N6	125.788
N5	C1	Cl7	117.106	N5	C3	Cl9	117.106
N6	C1	Cl7	117.106	N6	C2	Cl8	117.106

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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