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	hartrees
Energy at 0K	-1654.346514
Energy at 298.15K	-1654.349000
HF Energy	-1654.346514
Nuclear repulsion energy	643.486429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1281	1268	0.00
2	A₁'	979	969	0.00
3	A₁'	402	397	0.00
4	A₂'	1295	1282	0.00
5	A₂'	499	494	0.00
6	A₂"	807	799	11.20
7	A₂"	135	133	0.00
8	E'	1548	1532	674.21
8	E'	1548	1532	674.20
9	E'	1298	1285	355.70
9	E'	1298	1285	355.69
10	E'	854	846	225.80
10	E'	854	846	225.79
11	E'	460	456	3.67
11	E'	460	456	3.67
12	E'	208	206	0.17
12	E'	208	206	0.17
13	E"	654	647	0.00
13	E"	654	647	0.00
14	E"	144	143	0.00
14	E"	144	143	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.274
C2	1.103	-0.637
C3	-1.103	-0.637
N4	0.000	-1.362
N5	-1.180	0.681
N6	1.180	0.681
Cl7	0.000	2.985
Cl8	2.585	-1.493
Cl9	-2.585	-1.493

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2068	2.2068	2.6365	1.3205	1.3205	1.7109	3.7864	3.7864
C2	2.2068		2.2068	1.3205	2.6365	1.3205	3.7864	1.7109	3.7864
C3	2.2068	2.2068		1.3205	1.3205	2.6365	3.7864	3.7864	1.7109
N4	2.6365	1.3205	1.3205		2.3597	2.3597	4.3474	2.5884	2.5884
N5	1.3205	2.6365	1.3205	2.3597		2.3597	2.5884	4.3474	2.5884
N6	1.3205	1.3205	2.6365	2.3597	2.3597		2.5884	2.5884	4.3474
Cl7	1.7109	3.7864	3.7864	4.3474	2.5884	2.5884		5.1702	5.1702
Cl8	3.7864	1.7109	3.7864	2.5884	4.3474	2.5884	5.1702		5.1702
Cl9	3.7864	3.7864	1.7109	2.5884	2.5884	4.3474	5.1702	5.1702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.361	C1	N6	C2	113.361
C2	N4	C3	113.361	N4	C2	N5	63.319
N4	C2	N6	126.639	N4	C2	Cl8	116.681
N4	C3	Cl9	116.681	N5	C1	N6	126.639
N5	C1	Cl7	116.681	N5	C3	Cl9	116.681
N6	C1	Cl7	116.681	N6	C2	Cl8	116.681

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

using model chemistry: SVWN/6-311G**

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	0.123
2	C	0.123
3	C	0.123
4	N	-0.194
5	N	-0.194
6	N	-0.194
7	Cl	0.071
8	Cl	0.071
9	Cl	0.071

<r²>	566.919
(<r²>)^1/2	23.810

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

using model chemistry: SVWN/6-311G**

States and conformations

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