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	hartrees
Energy at 0K	-1647.208903
Energy at 298.15K	-1647.211758
HF Energy	-1647.208903
Nuclear repulsion energy	632.309401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1429	1294	0.00
2	A₁'	1067	967	0.00
3	A₁'	393	356	0.00
4	A₂'	1085	983	0.00
5	A₂'	479	434	0.00
6	A₂"	946	857	44.34
7	A₂"	153	138	0.60
8	E'	1633	1479	693.20
8	E'	1633	1479	693.20
9	E'	1385	1254	306.13
9	E'	1385	1254	306.13
10	E'	889	805	145.87
10	E'	889	805	145.87
11	E'	481	436	2.21
11	E'	481	436	2.21
12	E'	197	179	0.07
12	E'	197	179	0.07
13	E"	735	666	0.00
13	E"	735	666	0.00
14	E"	220	199	0.00
14	E"	220	199	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.286
C2	1.114	-0.643
C3	-1.114	-0.643
N4	0.000	-1.347
N5	-1.167	0.674
N6	1.167	0.674
Cl7	0.000	3.059
Cl8	2.650	-1.530
Cl9	-2.650	-1.530

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2279	2.2279	2.6333	1.3177	1.3177	1.7732	3.8665	3.8665
C2	2.2279		2.2279	1.3177	2.6333	1.3177	3.8665	1.7732	3.8665
C3	2.2279	2.2279		1.3177	1.3177	2.6333	3.8665	3.8665	1.7732
N4	2.6333	1.3177	1.3177		2.3332	2.3332	4.4065	2.6558	2.6558
N5	1.3177	2.6333	1.3177	2.3332		2.3332	2.6558	4.4065	2.6558
N6	1.3177	1.3177	2.6333	2.3332	2.3332		2.6558	2.6558	4.4065
Cl7	1.7732	3.8665	3.8665	4.4065	2.6558	2.6558		5.2991	5.2991
Cl8	3.8665	1.7732	3.8665	2.6558	4.4065	2.6558	5.2991		5.2991
Cl9	3.8665	3.8665	1.7732	2.6558	2.6558	4.4065	5.2991	5.2991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	115.420	C1	N6	C2	115.420
C2	N4	C3	115.420	N4	C2	N5	62.290
N4	C2	N6	124.580	N4	C2	Cl8	117.710
N4	C3	Cl9	117.710	N5	C1	N6	124.580
N5	C1	Cl7	117.710	N5	C3	Cl9	117.710
N6	C1	Cl7	117.710	N6	C2	Cl8	117.710

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	0.313
2	C	0.313
3	C	0.313
4	N	-0.571
5	N	-0.571
6	N	-0.571
7	Cl	0.259
8	Cl	0.259
9	Cl	0.259

<r²>	591.977
(<r²>)^1/2	24.331

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-)