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	hartrees
Energy at 0K	-1915.673753
Energy at 298.15K
HF Energy	-1914.798372
Nuclear repulsion energy	531.385232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3124	3006
2	A'	1504	1447
3	A'	1369	1317
4	A'	1106	1064
5	A'	860	827
6	A'	782	752
7	A'	564	543
8	A'	393	378
9	A'	318	306
10	A'	249	240
11	A'	157	151
12	A"	3193	3072
13	A"	1270	1222
14	A"	1016	977
15	A"	757	729
16	A"	343	330
17	A"	253	243
18	A"	116	111

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.283	0.000
C2	-1.257	0.369	0.000
Cl3	-2.062	-1.217	0.000
Cl4	0.865	1.975	0.000
Cl5	0.865	-0.548	1.458
Cl6	0.865	-0.548	-1.458
H7	-1.570	0.913	0.895
H8	-1.570	0.913	-0.895

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5334	2.7762	1.7923	1.7787	1.7787	2.1444	2.1444
C2	1.5334		1.7792	2.6608	2.7326	2.7326	1.0935	1.0935
Cl3	2.7762	1.7792		4.3308	3.3374	3.3374	2.3631	2.3631
Cl4	1.7923	2.6608	4.3308		2.9136	2.9136	2.8027	2.8027
Cl5	1.7787	2.7326	3.3374	2.9136		2.9156	2.8943	3.6876
Cl6	1.7787	2.7326	3.3374	2.9136	2.9156		3.6876	2.8943
H7	2.1444	1.0935	2.3631	2.8027	2.8943	3.6876		1.7909
H8	2.1444	1.0935	2.3631	2.8027	3.6876	2.8943	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.667	C1	C2	H7	108.277
C1	C2	H8	108.277	C2	C1	Cl4	106.011
C2	C1	Cl5	110.970	C2	C1	Cl6	110.970
Cl3	C2	H7	108.322	Cl3	C2	H8	108.322
Cl4	C1	Cl5	109.352	Cl4	C1	Cl6	109.352
Cl5	C1	Cl6	110.086	H7	C2	H8	109.950

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

using model chemistry: CCSD(T)/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 CH2ClCCl3 (1,1,1,2-tetrachloroethane)

using model chemistry: CCSD(T)/6-31G*

States and conformations

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