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	hartrees
Energy at 0K	-1656.688093
Energy at 298.15K	-1656.690724
HF Energy	-1655.382166
Nuclear repulsion energy	639.559847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1311	1225	0.00
2	A₁'	998	933	0.00
3	A₁'	412	385	0.00
4	A₂'	1289	1205	0.00
5	A₂'	512	478	0.00
6	A₂"	804	751	12.92
7	A₂"	144	134	0.09
8	E'	1577	1474	484.68
8	E'	1577	1474	484.68
9	E'	1325	1238	285.44
9	E'	1325	1238	285.44
10	E'	879	821	166.07
10	E'	879	821	166.07
11	E'	475	444	0.56
11	E'	475	444	0.56
12	E'	214	200	0.10
12	E'	214	200	0.10
13	E"	653	610	0.00
13	E"	653	610	0.00
14	E"	169	158	0.00
14	E"	169	158	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.286
C2	1.113	-0.643
C3	-1.113	-0.643
N4	0.000	-1.377
N5	-1.193	0.688
N6	1.193	0.688
Cl7	0.000	3.000
Cl8	2.598	-1.500
Cl9	-2.598	-1.500

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2268	2.2268	2.6626	1.3337	1.3337	1.7140	3.8089	3.8089
C2	2.2268		2.2268	1.3337	2.6626	1.3337	3.8089	1.7140	3.8089
C3	2.2268	2.2268		1.3337	1.3337	2.6626	3.8089	3.8089	1.7140
N4	2.6626	1.3337	1.3337		2.3850	2.3850	4.3767	2.6007	2.6007
N5	1.3337	2.6626	1.3337	2.3850		2.3850	2.6007	4.3767	2.6007
N6	1.3337	1.3337	2.6626	2.3850	2.3850		2.6007	2.6007	4.3767
Cl7	1.7140	3.8089	3.8089	4.3767	2.6007	2.6007		5.1956	5.1956
Cl8	3.8089	1.7140	3.8089	2.6007	4.3767	2.6007	5.1956		5.1956
Cl9	3.8089	3.8089	1.7140	2.6007	2.6007	4.3767	5.1956	5.1956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.199	C1	N6	C2	113.199
C2	N4	C3	113.199	N4	C2	N5	63.401
N4	C2	N6	126.801	N4	C2	Cl8	116.599
N4	C3	Cl9	116.599	N5	C1	N6	126.801
N5	C1	Cl7	116.599	N5	C3	Cl9	116.599
N6	C1	Cl7	116.599	N6	C2	Cl8	116.599

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

using model chemistry: MP2=FULL/6-31G**

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: MP2=FULL/6-31G**

States and conformations

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