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	hartrees
Energy at 0K	-1656.936409
Energy at 298.15K	-1656.938837
HF Energy	-1655.526314
Nuclear repulsion energy	637.025649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	1291	1243
2	A₁'	990	953
3	A₁'	401	386
4	A₂'	1147	1105
5	A₂'	500	482
6	A₂"	729	703
7	A₂"	133	128
8	E'	1534	1477
8	E'	1533	1477
9	E'	1291	1244
9	E'	1291	1243
10	E'	867	835
10	E'	867	835
11	E'	469	451
11	E'	468	451
12	E'	209	201
12	E'	209	201
13	E"	599	577
13	E"	599	577
14	E"	152	146
14	E"	152	146

Atom	x (Å)	y (Å)
C1	0.000	1.282
C2	1.111	-0.641
C3	-1.111	-0.641
N4	0.000	-1.380
N5	-1.195	0.690
N6	1.195	0.690
Cl7	0.000	3.014
Cl8	2.610	-1.507
Cl9	-2.610	-1.507

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2212	2.2212	2.6622	1.3338	1.3338	1.7318	3.8205	3.8205
C2	2.2212		2.2212	1.3338	2.6622	1.3338	3.8205	1.7318	3.8205
C3	2.2212	2.2212		1.3338	1.3338	2.6622	3.8205	3.8205	1.7318
N4	2.6622	1.3338	1.3338		2.3899	2.3899	4.3941	2.6135	2.6135
N5	1.3338	2.6622	1.3338	2.3899		2.3899	2.6135	4.3941	2.6135
N6	1.3338	1.3338	2.6622	2.3899	2.3899		2.6135	2.6135	4.3941
Cl7	1.7318	3.8205	3.8205	4.3941	2.6135	2.6135		5.2209	5.2209
Cl8	3.8205	1.7318	3.8205	2.6135	4.3941	2.6135	5.2209		5.2209
Cl9	3.8205	3.8205	1.7318	2.6135	2.6135	4.3941	5.2209	5.2209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.749	C1	N6	C2	112.749
C2	N4	C3	112.749	N4	C2	N5	63.625
N4	C2	N6	127.251	N4	C2	Cl8	116.375
N4	C3	Cl9	116.375	N5	C1	N6	127.251
N5	C1	Cl7	116.375	N5	C3	Cl9	116.375
N6	C1	Cl7	116.375	N6	C2	Cl8	116.375

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

using model chemistry: QCISD(T)/TZVP

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: QCISD(T)/TZVP

States and conformations

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