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	hartrees
Energy at 0K	-1656.966009
Energy at 298.15K	-1656.968742
HF Energy	-1655.424998
Nuclear repulsion energy	641.899624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1337	1266	0.00
2	A₁'	1025	971	0.00
3	A₁'	415	393	0.00
4	A₂'	1152	1091	0.00
5	A₂'	508	481	0.00
6	A₂"	845	801	17.56
7	A₂"	146	139	0.14
8	E'	1623	1537	537.59
8	E'	1623	1537	537.59
9	E'	1354	1282	320.83
9	E'	1354	1282	320.83
10	E'	891	844	155.27
10	E'	891	844	155.27
11	E'	480	455	0.37
11	E'	480	455	0.37
12	E'	212	201	0.11
12	E'	212	201	0.11
13	E"	682	646	0.00
13	E"	682	646	0.00
14	E"	180	170	0.00
14	E"	180	170	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.275
C2	1.104	-0.638
C3	-1.104	-0.638
N4	0.000	-1.369
N5	-1.186	0.685
N6	1.186	0.685
Cl7	0.000	2.991
Cl8	2.590	-1.495
Cl9	-2.590	-1.495

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2090	2.2090	2.6447	1.3248	1.3248	1.7156	3.7929	3.7929
C2	2.2090		2.2090	1.3248	2.6447	1.3248	3.7929	1.7156	3.7929
C3	2.2090	2.2090		1.3248	1.3248	2.6447	3.7929	3.7929	1.7156
N4	2.6447	1.3248	1.3248		2.3717	2.3717	4.3602	2.5933	2.5933
N5	1.3248	2.6447	1.3248	2.3717		2.3717	2.5933	4.3602	2.5933
N6	1.3248	1.3248	2.6447	2.3717	2.3717		2.5933	2.5933	4.3602
Cl7	1.7156	3.7929	3.7929	4.3602	2.5933	2.5933		5.1804	5.1804
Cl8	3.7929	1.7156	3.7929	2.5933	4.3602	2.5933	5.1804		5.1804
Cl9	3.7929	3.7929	1.7156	2.5933	2.5933	4.3602	5.1804	5.1804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.957	C1	N6	C2	112.957
C2	N4	C3	112.957	N4	C2	N5	63.522
N4	C2	N6	127.043	N4	C2	Cl8	116.478
N4	C3	Cl9	116.478	N5	C1	N6	127.043
N5	C1	Cl7	116.478	N5	C3	Cl9	116.478
N6	C1	Cl7	116.478	N6	C2	Cl8	116.478

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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