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	hartrees
Energy at 0K	-1647.545216
Energy at 298.15K	-1647.548251
HF Energy	-1647.545216
Nuclear repulsion energy	641.120674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1453	1311	0.00
2	A₁'	1064	960	0.00
3	A₁'	427	386	0.00
4	A₂'	1077	972	0.00
5	A₂'	517	467	0.00
6	A₂"	951	859	45.88
7	A₂"	160	144	0.04
8	E'	1623	1465	687.59
8	E'	1623	1465	687.59
9	E'	1387	1252	283.35
9	E'	1387	1252	283.35
10	E'	928	838	133.65
10	E'	928	838	133.65
11	E'	508	458	0.40
11	E'	508	458	0.40
12	E'	216	195	0.05
12	E'	216	195	0.05
13	E"	746	674	0.00
13	E"	746	674	0.00
14	E"	219	198	0.00
14	E"	219	198	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.297
C2	1.123	-0.648
C3	-1.123	-0.648
N4	0.000	-1.348
N5	-1.168	0.674
N6	1.168	0.674
Cl7	0.000	3.003
Cl8	2.600	-1.501
Cl9	-2.600	-1.501

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2460	2.2460	2.6452	1.3234	1.3234	1.7058	3.8198	3.8198
C2	2.2460		2.2460	1.3234	2.6452	1.3234	3.8198	1.7058	3.8198
C3	2.2460	2.2460		1.3234	1.3234	2.6452	3.8198	3.8198	1.7058
N4	2.6452	1.3234	1.3234		2.3357	2.3357	4.3511	2.6048	2.6048
N5	1.3234	2.6452	1.3234	2.3357		2.3357	2.6048	4.3511	2.6048
N6	1.3234	1.3234	2.6452	2.3357	2.3357		2.6048	2.6048	4.3511
Cl7	1.7058	3.8198	3.8198	4.3511	2.6048	2.6048		5.2007	5.2007
Cl8	3.8198	1.7058	3.8198	2.6048	4.3511	2.6048	5.2007		5.2007
Cl9	3.8198	3.8198	1.7058	2.6048	2.6048	4.3511	5.2007	5.2007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	116.120	C1	N6	C2	116.120
C2	N4	C3	116.119	N4	C2	N5	61.940
N4	C2	N6	123.881	N4	C2	Cl8	118.060
N4	C3	Cl9	118.060	N5	C1	N6	123.880
N5	C1	Cl7	118.060	N5	C3	Cl9	118.060
N6	C1	Cl7	118.060	N6	C2	Cl8	118.060

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

using model chemistry: HF/3-21G*

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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Number	Element	Mulliken
1	C	0.458
2	C	0.458
3	C	0.458
4	N	-0.624
5	N	-0.624
6	N	-0.624
7	Cl	0.166
8	Cl	0.166
9	Cl	0.166

<r²>	573.541
(<r²>)^1/2	23.949

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

using model chemistry: HF/3-21G*

States and conformations

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