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	hartrees
Energy at 0K	-1915.594400
Energy at 298.15K
HF Energy	-1914.892980
Nuclear repulsion energy	532.858819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	2987	5.40
2	A'	1518	1402	5.26
3	A'	1379	1275	13.42
4	A'	1153	1065	12.55
5	A'	895	827	56.18
6	A'	816	754	112.53
7	A'	585	541	19.20
8	A'	406	375	1.79
9	A'	327	302	0.99
10	A'	256	236	0.07
11	A'	162	149	0.61
12	A"	3310	3058	0.00
13	A"	1285	1187	12.59
14	A"	1029	950	59.10
15	A"	793	733	82.20
16	A"	353	326	0.71
17	A"	260	241	0.98
18	A"	119	110	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.269	0.282	0.000
C2	-1.258	0.367	0.000
Cl3	-2.059	-1.214	0.000
Cl4	0.864	1.967	0.000
Cl5	0.864	-0.544	1.453
Cl6	0.864	-0.544	-1.453
H7	-1.571	0.909	0.893
H8	-1.571	0.909	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5292	2.7669	1.7870	1.7743	1.7743	2.1395	2.1395
C2	1.5292		1.7723	2.6576	2.7286	2.7286	1.0909	1.0909
Cl3	2.7669	1.7723		4.3199	3.3320	3.3320	2.3542	2.3542
Cl4	1.7870	2.6576	4.3199		2.9014	2.9014	2.8017	2.8017
Cl5	1.7743	2.7286	3.3320	2.9014		2.9055	2.8908	3.6809
Cl6	1.7743	2.7286	3.3320	2.9014	2.9055		3.6809	2.8908
H7	2.1395	1.0909	2.3542	2.8017	2.8908	3.6809		1.7870
H8	2.1395	1.0909	2.3542	2.8017	3.6809	2.8908	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.671	C1	C2	H7	108.329
C1	C2	H8	108.329	C2	C1	Cl4	106.270
C2	C1	Cl5	111.158	C2	C1	Cl6	111.158
Cl3	C2	H7	108.254	Cl3	C2	H8	108.254
Cl4	C1	Cl5	109.113	Cl4	C1	Cl6	109.113
Cl5	C1	Cl6	109.929	H7	C2	H8	109.981

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

using model chemistry: CID/cc-pVDZ

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: CID/cc-pVDZ

States and conformations

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