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	hartrees
Energy at 0K	-1656.941192
Energy at 298.15K	-1656.943828
HF Energy	-1655.423628
Nuclear repulsion energy	641.045712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1302	1230	0.00
2	A₁'	991	936	0.00
3	A₁'	412	389	0.00
4	A₂'	1287	1215	0.00
5	A₂'	502	475	0.00
6	A₂"	818	772	11.43
7	A₂"	144	136	0.12
8	E'	1561	1475	451.69
8	E'	1561	1475	451.69
9	E'	1306	1234	311.71
9	E'	1306	1234	311.71
10	E'	872	823	170.85
10	E'	872	823	170.85
11	E'	473	447	0.46
11	E'	473	447	0.46
12	E'	211	199	0.10
12	E'	211	199	0.10
13	E"	663	626	0.00
13	E"	663	626	0.00
14	E"	170	161	0.00
14	E"	170	161	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.279
C2	1.108	-0.640
C3	-1.108	-0.640
N4	0.000	-1.377
N5	-1.192	0.688
N6	1.192	0.688
Cl7	0.000	2.992
Cl8	2.591	-1.496
Cl9	-2.591	-1.496

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2157	2.2157	2.6561	1.3308	1.3308	1.7125	3.7965	3.7965
C2	2.2157		2.2157	1.3308	2.6561	1.3308	3.7965	1.7125	3.7965
C3	2.2157	2.2157		1.3308	1.3308	2.6561	3.7965	3.7965	1.7125
N4	2.6561	1.3308	1.3308		2.3849	2.3849	4.3686	2.5936	2.5936
N5	1.3308	2.6561	1.3308	2.3849		2.3849	2.5936	4.3686	2.5936
N6	1.3308	1.3308	2.6561	2.3849	2.3849		2.5936	2.5936	4.3686
Cl7	1.7125	3.7965	3.7965	4.3686	2.5936	2.5936		5.1818	5.1818
Cl8	3.7965	1.7125	3.7965	2.5936	4.3686	2.5936	5.1818		5.1818
Cl9	3.7965	3.7965	1.7125	2.5936	2.5936	4.3686	5.1818	5.1818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.711	C1	N6	C2	112.711
C2	N4	C3	112.711	N4	C2	N5	63.644
N4	C2	N6	127.289	N4	C2	Cl8	116.356
N4	C3	Cl9	116.356	N5	C1	N6	127.289
N5	C1	Cl7	116.356	N5	C3	Cl9	116.356
N6	C1	Cl7	116.356	N6	C2	Cl8	116.356

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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