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	hartrees
Energy at 0K	-1656.832873
Energy at 298.15K	-1656.835561
HF Energy	-1655.509721
Nuclear repulsion energy	640.630246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1333	1273	0.00
2	A₁'	1028	982	0.00
3	A₁'	414	395	0.00
4	A₂'	1122	1072	0.00
5	A₂'	507	484	0.00
6	A₂"	823	786	14.69
7	A₂"	143	137	0.05
8	E'	1619	1546	578.80
8	E'	1619	1546	578.80
9	E'	1357	1296	331.71
9	E'	1357	1296	331.71
10	E'	892	852	152.45
10	E'	892	852	152.45
11	E'	479	458	0.49
11	E'	479	458	0.49
12	E'	212	202	0.10
12	E'	212	202	0.10
13	E"	660	631	0.00
13	E"	660	631	0.00
14	E"	173	165	0.00
14	E"	173	165	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.280
C2	1.109	-0.640
C3	-1.109	-0.640
N4	0.000	-1.370
N5	-1.187	0.685
N6	1.187	0.685
Cl7	0.000	2.997
Cl8	2.596	-1.499
Cl9	-2.596	-1.499

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2176	2.2176	2.6508	1.3277	1.3277	1.7169	3.8027	3.8027
C2	2.2176		2.2176	1.3277	2.6508	1.3277	3.8027	1.7169	3.8027
C3	2.2176	2.2176		1.3277	1.3277	2.6508	3.8027	3.8027	1.7169
N4	2.6508	1.3277	1.3277		2.3737	2.3737	4.3677	2.5988	2.5988
N5	1.3277	2.6508	1.3277	2.3737		2.3737	2.5988	4.3677	2.5988
N6	1.3277	1.3277	2.6508	2.3737	2.3737		2.5988	2.5988	4.3677
Cl7	1.7169	3.8027	3.8027	4.3677	2.5988	2.5988		5.1914	5.1914
Cl8	3.8027	1.7169	3.8027	2.5988	4.3677	2.5988	5.1914		5.1914
Cl9	3.8027	3.8027	1.7169	2.5988	2.5988	4.3677	5.1914	5.1914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.262	C1	N6	C2	113.262
C2	N4	C3	113.262	N4	C2	N5	63.369
N4	C2	N6	126.738	N4	C2	Cl8	116.631
N4	C3	Cl9	116.631	N5	C1	N6	126.738
N5	C1	Cl7	116.631	N5	C3	Cl9	116.631
N6	C1	Cl7	116.631	N6	C2	Cl8	116.631

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

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

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

States and conformations

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