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	hartrees
Energy at 0K	-1656.526099
Energy at 298.15K	-1656.528999
HF Energy	-1655.511744
Nuclear repulsion energy	645.345396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1386	1283	0.00
2	A₁'	1075	995	0.00
3	A₁'	431	399	0.00
4	A₂'	1193	1104	0.00
5	A₂'	531	491	0.00
6	A₂"	878	813	25.18
7	A₂"	149	138	0.07
8	E'	1695	1568	747.77
8	E'	1695	1568	747.77
9	E'	1417	1311	383.77
9	E'	1417	1311	383.77
10	E'	929	859	168.98
10	E'	929	859	168.98
11	E'	499	461	0.74
11	E'	499	461	0.74
12	E'	220	204	0.10
12	E'	220	204	0.10
13	E"	707	654	0.00
13	E"	707	654	0.00
14	E"	183	169	0.00
14	E"	183	169	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.270
C2	1.100	-0.635
C3	-1.100	-0.635
N4	0.000	-1.356
N5	-1.174	0.678
N6	1.174	0.678
Cl7	0.000	2.978
Cl8	2.579	-1.489
Cl9	-2.579	-1.489

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.1999	2.1999	2.6262	1.3152	1.3152	1.7075	3.7764	3.7764
C2	2.1999		2.1999	1.3152	2.6262	1.3152	3.7764	1.7075	3.7764
C3	2.1999	2.1999		1.3152	1.3152	2.6262	3.7764	3.7764	1.7075
N4	2.6262	1.3152	1.3152		2.3489	2.3489	4.3338	2.5821	2.5821
N5	1.3152	2.6262	1.3152	2.3489		2.3489	2.5821	4.3338	2.5821
N6	1.3152	1.3152	2.6262	2.3489	2.3489		2.5821	2.5821	4.3338
Cl7	1.7075	3.7764	3.7764	4.3338	2.5821	2.5821		5.1574	5.1574
Cl8	3.7764	1.7075	3.7764	2.5821	4.3338	2.5821	5.1574		5.1574
Cl9	3.7764	3.7764	1.7075	2.5821	2.5821	4.3338	5.1574	5.1574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	113.505	C1	N6	C2	113.505
C2	N4	C3	113.505	N4	C2	N5	63.248
N4	C2	N6	126.495	N4	C2	Cl8	116.752
N4	C3	Cl9	116.752	N5	C1	N6	126.495
N5	C1	Cl7	116.752	N5	C3	Cl9	116.752
N6	C1	Cl7	116.752	N6	C2	Cl8	116.752

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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