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	hartrees
Energy at 0K	-1915.835465
Energy at 298.15K
HF Energy	-1914.920780
Nuclear repulsion energy	530.564415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3008	5.26
2	A'	1487	1420	3.77
3	A'	1373	1312	16.43
4	A'	1112	1062	10.50
5	A'	863	825	50.09
6	A'	780	745	97.33
7	A'	564	539	17.43
8	A'	390	373	1.65
9	A'	316	302	1.00
10	A'	247	236	0.05
11	A'	158	151	0.60
12	A"	3221	3077	0.08
13	A"	1269	1212	10.17
14	A"	1010	965	49.77
15	A"	758	724	77.15
16	A"	346	330	0.65
17	A"	251	240	0.74
18	A"	117	112	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.283	0.000
C2	-1.251	0.372	0.000
Cl3	-2.065	-1.218	0.000
Cl4	0.865	1.980	0.000
Cl5	0.865	-0.550	1.462
Cl6	0.865	-0.550	-1.462
H7	-1.564	0.907	0.892
H8	-1.564	0.907	-0.892

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5260	2.7778	1.7970	1.7840	1.7840	2.1342	2.1342
C2	1.5260		1.7864	2.6573	2.7321	2.7321	1.0859	1.0859
Cl3	2.7778	1.7864		4.3369	3.3416	3.3416	2.3587	2.3587
Cl4	1.7970	2.6573	4.3369		2.9218	2.9218	2.8004	2.8004
Cl5	1.7840	2.7321	3.3416	2.9218		2.9242	2.8886	3.6824
Cl6	1.7840	2.7321	3.3416	2.9218	2.9242		3.6824	2.8886
H7	2.1342	1.0859	2.3587	2.8004	2.8886	3.6824		1.7837
H8	2.1342	1.0859	2.3587	2.8004	3.6824	2.8886	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.756	C1	C2	H7	108.415
C1	C2	H8	108.415	C2	C1	Cl4	105.907
C2	C1	Cl5	111.021	C2	C1	Cl6	111.021
Cl3	C2	H7	107.910	Cl3	C2	H8	107.910
Cl4	C1	Cl5	109.353	Cl4	C1	Cl6	109.353
Cl5	C1	Cl6	110.084	H7	C2	H8	110.432

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

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

using model chemistry: QCISD/TZVP

States and conformations

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