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	hartrees
Energy at 0K	-1647.953851
Energy at 298.15K	-1647.956183
HF Energy	-1647.202122
Nuclear repulsion energy	620.245122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1309	1273	0.00
2	A₁'	970	943	0.00
3	A₁'	357	347	0.00
4	A₂'	908	882	0.00
5	A₂'	440	428	0.00
6	A₂"	835	812	14.36
7	A₂"	137	133	0.53
8	E'	1454	1413	429.86
8	E'	1454	1413	429.86
9	E'	1242	1207	235.91
9	E'	1242	1207	235.91
10	E'	810	788	118.75
10	E'	810	788	118.75
11	E'	439	427	3.20
11	E'	439	427	3.20
12	E'	184	179	0.05
12	E'	184	179	0.05
13	E"	652	634	0.00
13	E"	652	634	0.00
14	E"	191	186	0.00
14	E"	191	186	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.304
C2	1.129	-0.652
C3	-1.129	-0.652
N4	0.000	-1.381
N5	-1.196	0.691
N6	1.196	0.691
Cl7	0.000	3.116
Cl8	2.699	-1.558
Cl9	-2.699	-1.558

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2587	2.2587	2.6855	1.3444	1.3444	1.8121	3.9337	3.9337
C2	2.2587		2.2587	1.3444	2.6855	1.3444	3.9337	1.8121	3.9337
C3	2.2587	2.2587		1.3444	1.3444	2.6855	3.9337	3.9337	1.8121
N4	2.6855	1.3444	1.3444		2.3927	2.3927	4.4975	2.7044	2.7044
N5	1.3444	2.6855	1.3444	2.3927		2.3927	2.7044	4.4975	2.7044
N6	1.3444	1.3444	2.6855	2.3927	2.3927		2.7044	2.7044	4.4975
Cl7	1.8121	3.9337	3.9337	4.4975	2.7044	2.7044		5.3972	5.3972
Cl8	3.9337	1.8121	3.9337	2.7044	4.4975	2.7044	5.3972		5.3972
Cl9	3.9337	3.9337	1.8121	2.7044	2.7044	4.4975	5.3972	5.3972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	114.286	C1	N6	C2	114.286
C2	N4	C3	114.286	N4	C2	N5	62.857
N4	C2	N6	125.714	N4	C2	Cl8	117.143
N4	C3	Cl9	117.143	N5	C1	N6	125.714
N5	C1	Cl7	117.143	N5	C3	Cl9	117.143
N6	C1	Cl7	117.143	N6	C2	Cl8	117.143

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

using model chemistry: CCD/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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All results from a given calculation for C3Cl3N3 (1,3,5-Triazine, 2,4,6-trichloro-)

using model chemistry: CCD/3-21G

States and conformations

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