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	hartrees
Energy at 0K	-1915.693088
Energy at 298.15K
HF Energy	-1914.798644
Nuclear repulsion energy	533.064016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	2989	4.91
2	A'	1517	1441	6.76
3	A'	1385	1316	10.61
4	A'	1123	1067	10.07
5	A'	882	838	47.87
6	A'	800	760	97.83
7	A'	575	546	17.88
8	A'	400	380	1.84
9	A'	323	307	1.09
10	A'	253	240	0.10
11	A'	160	152	0.63
12	A"	3215	3054	0.02
13	A"	1286	1221	9.04
14	A"	1028	977	56.36
15	A"	777	738	75.14
16	A"	349	331	0.56
17	A"	258	245	1.09
18	A"	119	113	1.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.282	0.000
C2	-1.254	0.368	0.000
Cl3	-2.058	-1.213	0.000
Cl4	0.863	1.967	0.000
Cl5	0.863	-0.545	1.453
Cl6	0.863	-0.545	-1.453
H7	-1.567	0.912	0.893
H8	-1.567	0.912	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5300	2.7692	1.7851	1.7727	1.7727	2.1403	2.1403
C2	1.5300		1.7729	2.6530	2.7249	2.7249	1.0914	1.0914
Cl3	2.7692	1.7729		4.3173	3.3292	3.3292	2.3565	2.3565
Cl4	1.7851	2.6530	4.3173		2.9025	2.9025	2.7949	2.7949
Cl5	1.7727	2.7249	3.3292	2.9025		2.9058	2.8880	3.6781
Cl6	1.7727	2.7249	3.3292	2.9025	2.9058		3.6781	2.8880
H7	2.1403	1.0914	2.3565	2.7949	2.8880	3.6781		1.7854
H8	2.1403	1.0914	2.3565	2.7949	3.6781	2.8880	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.739	C1	C2	H7	108.300
C1	C2	H8	108.300	C2	C1	Cl4	106.055
C2	C1	Cl5	110.970	C2	C1	Cl6	110.970
Cl3	C2	H7	108.353	Cl3	C2	H8	108.353
Cl4	C1	Cl5	109.330	Cl4	C1	Cl6	109.330
Cl5	C1	Cl6	110.087	H7	C2	H8	109.758

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

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

States and conformations

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