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	hartrees
Energy at 0K	-1915.824338
Energy at 298.15K
HF Energy	-1914.916763
Nuclear repulsion energy	532.775281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3139	6.61
2	A'	1478	1478	3.28
3	A'	1382	1382	15.94
4	A'	1117	1117	9.60
5	A'	876	876	50.23
6	A'	797	797	105.76
7	A'	571	571	16.60
8	A'	399	399	1.35
9	A'	324	324	0.80
10	A'	255	255	0.01
11	A'	162	162	0.54
12	A"	3205	3205	0.21
13	A"	1283	1283	8.01
14	A"	1020	1020	60.16
15	A"	773	773	80.50
16	A"	351	351	0.82
17	A"	261	261	0.52
18	A"	123	123	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.281	0.000
C2	-1.250	0.368	0.000
Cl3	-2.059	-1.211	0.000
Cl4	0.862	1.969	0.000
Cl5	0.862	-0.547	1.455
Cl6	0.862	-0.547	-1.455
H7	-1.562	0.909	0.893
H8	-1.562	0.909	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5310	2.7727	1.7860	1.7736	1.7736	2.1391	2.1391
C2	1.5310		1.7733	2.6509	2.7234	2.7234	1.0896	1.0896
Cl3	2.7727	1.7733		4.3178	3.3300	3.3300	2.3532	2.3532
Cl4	1.7860	2.6509	4.3178		2.9072	2.9072	2.7920	2.7920
Cl5	1.7736	2.7234	3.3300	2.9072		2.9108	2.8827	3.6754
Cl6	1.7736	2.7234	3.3300	2.9072	2.9108		3.6754	2.8827
H7	2.1391	1.0896	2.3532	2.7920	2.8827	3.6754		1.7858
H8	2.1391	1.0896	2.3532	2.7920	3.6754	2.8827	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.894	C1	C2	H7	108.249
C1	C2	H8	108.249	C2	C1	Cl4	105.849
C2	C1	Cl5	110.785	C2	C1	Cl6	110.785
Cl3	C2	H7	108.180	Cl3	C2	H8	108.180
Cl4	C1	Cl5	109.513	Cl4	C1	Cl6	109.513
Cl5	C1	Cl6	110.292	H7	C2	H8	110.067

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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