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	hartrees
Energy at 0K	-1655.873250
Energy at 298.15K	-1655.875373
HF Energy	-1655.120004
Nuclear repulsion energy	615.214137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1231	1189	0.00
2	A₁'	900	869	0.00
3	A₁'	357	345	0.00
4	A₂'	1070	1033	0.00
5	A₂'	460	444	0.00
6	A₂"	779	752	3.68
7	A₂"	130	126	0.13
8	E'	1398	1350	469.89
8	E'	1398	1350	469.89
9	E'	1172	1132	161.99
9	E'	1172	1132	161.99
10	E'	787	759	99.81
10	E'	787	759	99.81
11	E'	433	417	1.39
11	E'	433	417	1.39
12	E'	190	184	0.00
12	E'	190	184	0.00
13	E"	595	574	0.00
13	E"	595	574	0.00
14	E"	163	158	0.00
14	E"	163	158	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.329
C2	1.151	-0.664
C3	-1.151	-0.664
N4	0.000	-1.410
N5	-1.221	0.705
N6	1.221	0.705
Cl7	0.000	3.130
Cl8	2.711	-1.565
Cl9	-2.711	-1.565

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.3012	2.3012	2.7387	1.3712	1.3712	1.8017	3.9652	3.9652
C2	2.3012		2.3012	1.3712	2.7387	1.3712	3.9652	1.8017	3.9652
C3	2.3012	2.3012		1.3712	1.3712	2.7387	3.9652	3.9652	1.8017
N4	2.7387	1.3712	1.3712		2.4424	2.4424	4.5404	2.7153	2.7153
N5	1.3712	2.7387	1.3712	2.4424		2.4424	2.7153	4.5404	2.7153
N6	1.3712	1.3712	2.7387	2.4424	2.4424		2.7153	2.7153	4.5404
Cl7	1.8017	3.9652	3.9652	4.5404	2.7153	2.7153		5.4218	5.4218
Cl8	3.9652	1.8017	3.9652	2.7153	4.5404	2.7153	5.4218		5.4218
Cl9	3.9652	3.9652	1.8017	2.7153	2.7153	4.5404	5.4218	5.4218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	114.096	C1	N6	C2	114.096
C2	N4	C3	114.096	N4	C2	N5	62.952
N4	C2	N6	125.904	N4	C2	Cl8	117.048
N4	C3	Cl9	117.048	N5	C1	N6	125.904
N5	C1	Cl7	117.048	N5	C3	Cl9	117.048
N6	C1	Cl7	117.048	N6	C2	Cl8	117.048

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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