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	hartrees
Energy at 0K	-1656.630890
Energy at 298.15K	-1656.633473
HF Energy	-1655.381631
Nuclear repulsion energy	638.878704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1308	1233	0.00
2	A₁'	996	939	0.00
3	A₁'	411	388	0.00
4	A₂'	1284	1211	0.00
5	A₂'	509	480	0.00
6	A₂"	796	751	12.90
7	A₂"	142	134	0.09
8	E'	1573	1483	480.72
8	E'	1573	1483	480.72
9	E'	1322	1247	286.86
9	E'	1322	1247	286.86
10	E'	877	827	165.39
10	E'	877	827	165.39
11	E'	474	447	0.56
11	E'	474	447	0.56
12	E'	213	201	0.10
12	E'	213	201	0.10
13	E"	646	609	0.00
13	E"	646	609	0.00
14	E"	168	158	0.00
14	E"	168	158	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.290
C2	1.117	-0.645
C3	-1.117	-0.645
N4	0.000	-1.374
N5	-1.190	0.687
N6	1.190	0.687
Cl7	0.000	3.009
Cl8	2.606	-1.505
Cl9	-2.606	-1.505

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2342	2.2342	2.6635	1.3337	1.3337	1.7193	3.8211	3.8211
C2	2.2342		2.2342	1.3337	2.6635	1.3337	3.8211	1.7193	3.8211
C3	2.2342	2.2342		1.3337	1.3337	2.6635	3.8211	3.8211	1.7193
N4	2.6635	1.3337	1.3337		2.3792	2.3792	4.3828	2.6093	2.6093
N5	1.3337	2.6635	1.3337	2.3792		2.3792	2.6093	4.3828	2.6093
N6	1.3337	1.3337	2.6635	2.3792	2.3792		2.6093	2.6093	4.3828
Cl7	1.7193	3.8211	3.8211	4.3828	2.6093	2.6093		5.2121	5.2121
Cl8	3.8211	1.7193	3.8211	2.6093	4.3828	2.6093	5.2121		5.2121
Cl9	3.8211	3.8211	1.7193	2.6093	2.6093	4.3828	5.2121	5.2121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.769	C1	N6	C2	113.769
C2	N4	C3	113.769	N4	C2	N5	63.116
N4	C2	N6	126.231	N4	C2	Cl8	116.884
N4	C3	Cl9	116.884	N5	C1	N6	126.231
N5	C1	Cl7	116.884	N5	C3	Cl9	116.884
N6	C1	Cl7	116.884	N6	C2	Cl8	116.884

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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