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	hartrees
Energy at 0K	-1916.191838
Energy at 298.15K
HF Energy	-1914.978862
Nuclear repulsion energy	532.340797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3108	3029
2	A'	1465	1428
3	A'	1310	1277
4	A'	1091	1064
5	A'	835	814
6	A'	769	750
7	A'	556	542
8	A'	383	373
9	A'	308	301
10	A'	241	235
11	A'	153	149
12	A"	3176	3096
13	A"	1230	1199
14	A"	979	955
15	A"	741	722
16	A"	333	324
17	A"	243	237
18	A"	111	109

Atom	x (Å)	y (Å)	z (Å)
C1	0.268	0.283	0.000
C2	-1.258	0.372	0.000
Cl3	-2.051	-1.220	0.000
Cl4	0.861	1.974	0.000
Cl5	0.861	-0.546	1.456
Cl6	0.861	-0.546	-1.456
H7	-1.570	0.908	0.893
H8	-1.570	0.908	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5284	2.7639	1.7918	1.7773	1.7773	2.1366	2.1366
C2	1.5284		1.7788	2.6567	2.7298	2.7298	1.0872	1.0872
Cl3	2.7639	1.7788		4.3228	3.3248	3.3248	2.3576	2.3576
Cl4	1.7918	2.6567	4.3228		2.9104	2.9104	2.8009	2.8009
Cl5	1.7773	2.7298	3.3248	2.9104		2.9115	2.8880	3.6797
Cl6	1.7773	2.7298	3.3248	2.9104	2.9115		3.6797	2.8880
H7	2.1366	1.0872	2.3576	2.8009	2.8880	3.6797		1.7858
H8	2.1366	1.0872	2.3576	2.8009	3.6797	2.8880	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.162	C1	C2	H7	108.364
C1	C2	H8	108.364	C2	C1	Cl4	106.020
C2	C1	Cl5	111.111	C2	C1	Cl6	111.111
Cl3	C2	H7	108.262	Cl3	C2	H8	108.262
Cl4	C1	Cl5	109.258	Cl4	C1	Cl6	109.258
Cl5	C1	Cl6	109.981	H7	C2	H8	110.430

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)

using model chemistry: CCSD(T)/cc-pVTZ

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 CH2ClCCl3 (1,1,1,2-tetrachloroethane)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₂ClCCl₃ (1,1,1,2-tetrachloroethane)