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	hartrees
Energy at 0K	-1915.769639
Energy at 298.15K
HF Energy	-1914.892489
Nuclear repulsion energy	530.008682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3000	5.55
2	A'	1469	1406	4.81
3	A'	1332	1274	11.38
4	A'	1115	1067	11.94
5	A'	867	829	45.08
6	A'	792	758	99.07
7	A'	565	541	17.17
8	A'	392	375	1.59
9	A'	317	303	0.97
10	A'	247	237	0.08
11	A'	156	149	0.55
12	A"	3209	3070	0.13
13	A"	1241	1188	10.27
14	A"	995	952	51.76
15	A"	763	730	73.89
16	A"	342	328	0.61
17	A"	252	241	0.85
18	A"	115	110	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	0.285	0.000
C2	-1.265	0.368	0.000
Cl3	-2.064	-1.223	0.000
Cl4	0.867	1.980	0.000
Cl5	0.867	-0.547	1.462
Cl6	0.867	-0.547	-1.462
H7	-1.580	0.915	0.901
H8	-1.580	0.915	-0.901

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5373	2.7790	1.7974	1.7847	1.7847	2.1522	2.1522
C2	1.5373		1.7806	2.6727	2.7418	2.7418	1.1002	1.1002
Cl3	2.7790	1.7806		4.3419	3.3441	3.3441	2.3707	2.3707
Cl4	1.7974	2.6727	4.3419		2.9199	2.9199	2.8161	2.8161
Cl5	1.7847	2.7418	3.3441	2.9199		2.9236	2.9052	3.7023
Cl6	1.7847	2.7418	3.3441	2.9199	2.9236		3.7023	2.9052
H7	2.1522	1.1002	2.3707	2.8161	2.9052	3.7023		1.8014
H8	2.1522	1.1002	2.3707	2.8161	3.7023	2.9052	1.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.573	C1	C2	H7	108.232
C1	C2	H8	108.232	C2	C1	Cl4	106.282
C2	C1	Cl5	111.033	C2	C1	Cl6	111.033
Cl3	C2	H7	108.435	Cl3	C2	H8	108.435
Cl4	C1	Cl5	109.205	Cl4	C1	Cl6	109.205
Cl5	C1	Cl6	109.988	H7	C2	H8	109.906

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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