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	hartrees
Energy at 0K	-1655.511964
Energy at 298.15K	-1655.514992
HF Energy	-1655.511964
Nuclear repulsion energy	645.819380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1412	1277	0.00
2	A₁'	1105	1000	0.00
3	A₁'	435	393	0.00
4	A₂'	1173	1061	0.00
5	A₂'	545	493	0.00
6	A₂"	917	829	35.83
7	A₂"	152	138	0.16
8	E'	1737	1571	870.18
8	E'	1737	1571	870.18
9	E'	1446	1308	422.72
9	E'	1446	1308	422.72
10	E'	946	855	173.72
10	E'	946	855	173.72
11	E'	508	460	1.50
11	E'	508	460	1.50
12	E'	224	202	0.08
12	E'	224	202	0.08
13	E"	735	665	0.00
13	E"	735	665	0.00
14	E"	195	177	0.00
14	E"	195	177	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.266
C2	1.096	-0.633
C3	-1.096	-0.633
N4	0.000	-1.350
N5	-1.169	0.675
N6	1.169	0.675
Cl7	0.000	2.979
Cl8	2.579	-1.489
Cl9	-2.579	-1.489

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.1927	2.1927	2.6159	1.3100	1.3100	1.7126	3.7742	3.7742
C2	2.1927		2.1927	1.3100	2.6159	1.3100	3.7742	1.7126	3.7742
C3	2.1927	2.1927		1.3100	1.3100	2.6159	3.7742	3.7742	1.7126
N4	2.6159	1.3100	1.3100		2.3383	2.3383	4.3285	2.5832	2.5832
N5	1.3100	2.6159	1.3100	2.3383		2.3383	2.5832	4.3285	2.5832
N6	1.3100	1.3100	2.6159	2.3383	2.3383		2.5832	2.5832	4.3285
Cl7	1.7126	3.7742	3.7742	4.3285	2.5832	2.5832		5.1589	5.1589
Cl8	3.7742	1.7126	3.7742	2.5832	4.3285	2.5832	5.1589		5.1589
Cl9	3.7742	3.7742	1.7126	2.5832	2.5832	4.3285	5.1589	5.1589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.628	C1	N6	C2	113.628
C2	N4	C3	113.628	N4	C2	N5	63.186
N4	C2	N6	126.372	N4	C2	Cl8	116.814
N4	C3	Cl9	116.814	N5	C1	N6	126.372
N5	C1	Cl7	116.814	N5	C3	Cl9	116.814
N6	C1	Cl7	116.814	N6	C2	Cl8	116.814

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

using model chemistry: HF/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	0.371
2	C	0.371
3	C	0.371
4	N	-0.359
5	N	-0.359
6	N	-0.359
7	Cl	-0.011
8	Cl	-0.011
9	Cl	-0.011

<r²>	564.837
(<r²>)^1/2	23.766

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

using model chemistry: HF/6-311G*

States and conformations

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