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	hartrees
Energy at 0K	-320.872885
Energy at 298.15K	-320.875773
HF Energy	-320.872885
Nuclear repulsion energy	348.149454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1400	1260	0.00
2	A₁'	1050	945	0.00
3	A₁'	406	365	0.00
4	A₂'	1154	1038	0.00
5	A₂'	522	470	0.00
6	A₂"	927	834	30.11
7	A₂"	152	136	0.90
8	E'	1674	1506	790.97
8	E'	1674	1506	790.97
9	E'	1396	1257	195.10
9	E'	1396	1257	195.10
10	E'	901	811	117.01
10	E'	901	811	117.01
11	E'	489	440	0.49
11	E'	489	440	0.49
12	E'	212	191	0.09
12	E'	212	191	0.09
13	E"	718	646	0.00
13	E"	718	646	0.00
14	E"	209	188	0.00
14	E"	209	188	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.296
C2	1.123	-0.648
C3	-1.123	-0.648
N4	0.000	-1.355
N5	-1.174	0.678
N6	1.174	0.678
Cl7	0.000	3.046
Cl8	2.638	-1.523
Cl9	-2.638	-1.523

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2456	2.2456	2.6516	1.3268	1.3268	1.7500	3.8616	3.8616
C2	2.2456		2.2456	1.3268	2.6516	1.3268	3.8616	1.7500	3.8616
C3	2.2456	2.2456		1.3268	1.3268	2.6516	3.8616	3.8616	1.7500
N4	2.6516	1.3268	1.3268		2.3471	2.3471	4.4015	2.6437	2.6437
N5	1.3268	2.6516	1.3268	2.3471		2.3471	2.6437	4.4015	2.6437
N6	1.3268	1.3268	2.6516	2.3471	2.3471		2.6437	2.6437	4.4015
Cl7	1.7500	3.8616	3.8616	4.4015	2.6437	2.6437		5.2766	5.2766
Cl8	3.8616	1.7500	3.8616	2.6437	4.4015	2.6437	5.2766		5.2766
Cl9	3.8616	3.8616	1.7500	2.6437	2.6437	4.4015	5.2766	5.2766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	115.617	C1	N6	C2	115.617
C2	N4	C3	115.617	N4	C2	N5	62.192
N4	C2	N6	124.383	N4	C2	Cl8	117.808
N4	C3	Cl9	117.808	N5	C1	N6	124.383
N5	C1	Cl7	117.808	N5	C3	Cl9	117.808
N6	C1	Cl7	117.808	N6	C2	Cl8	117.808

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

using model chemistry: HF/LANL2DZ

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	0.003
2	C	0.003
3	C	0.003
4	N	-0.051
5	N	-0.051
6	N	-0.051
7	Cl	0.047
8	Cl	0.047
9	Cl	0.047

<r²>	309.862
(<r²>)^1/2	17.603

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

using model chemistry: HF/LANL2DZ

States and conformations

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