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	hartrees
Energy at 0K	-1915.721160
Energy at 298.15K
HF Energy	-1914.798447
Nuclear repulsion energy	531.926565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3125	3034
2	A'	1506	1462
3	A'	1370	1329
4	A'	1108	1076
5	A'	861	836
6	A'	783	760
7	A'	566	549
8	A'	394	382
9	A'	319	310
10	A'	250	243
11	A'	158	153
12	A"	3194	3100
13	A"	1272	1235
14	A"	1017	987
15	A"	759	736
16	A"	345	334
17	A"	254	247
18	A"	117	114

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	0.283	0.000
C2	-1.256	0.369	0.000
Cl3	-2.059	-1.217	0.000
Cl4	0.863	1.973	0.000
Cl5	0.863	-0.547	1.457
Cl6	0.863	-0.547	-1.457
H7	-1.569	0.913	0.895
H8	-1.569	0.913	-0.895

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5316	2.7728	1.7906	1.7770	1.7770	2.1431	2.1431
C2	1.5316		1.7776	2.6582	2.7296	2.7296	1.0932	1.0932
Cl3	2.7728	1.7776		4.3264	3.3330	3.3330	2.3615	2.3615
Cl4	1.7906	2.6582	4.3264		2.9108	2.9108	2.8007	2.8007
Cl5	1.7770	2.7296	3.3330	2.9108		2.9130	2.8918	3.6847
Cl6	1.7770	2.7296	3.3330	2.9108	2.9130		3.6847	2.8918
H7	2.1431	1.0932	2.3615	2.8007	2.8918	3.6847		1.7900
H8	2.1431	1.0932	2.3615	2.8007	3.6847	2.8918	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.634	C1	C2	H7	108.309
C1	C2	H8	108.309	C2	C1	Cl4	106.022
C2	C1	Cl5	110.957	C2	C1	Cl6	110.957
Cl3	C2	H7	108.325	Cl3	C2	H8	108.325
Cl4	C1	Cl5	109.354	Cl4	C1	Cl6	109.354
Cl5	C1	Cl6	110.098	H7	C2	H8	109.911

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

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

States and conformations

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