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	hartrees
Energy at 0K	-1915.669167
Energy at 298.15K
HF Energy	-1914.804522
Nuclear repulsion energy	532.643522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	2980	4.89
2	A'	1511	1406	5.32
3	A'	1397	1300	13.70
4	A'	1125	1047	9.33
5	A'	884	823	46.30
6	A'	801	746	98.09
7	A'	575	535	16.27
8	A'	400	372	1.60
9	A'	324	301	0.92
10	A'	252	235	0.07
11	A'	157	146	0.51
12	A"	3275	3047	0.01
13	A"	1281	1192	10.15
14	A"	1027	956	52.82
15	A"	777	723	71.41
16	A"	351	326	0.75
17	A"	254	236	0.97
18	A"	110	103	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.280	0.000
C2	-1.254	0.369	0.000
Cl3	-2.068	-1.206	0.000
Cl4	0.866	1.965	0.000
Cl5	0.866	-0.547	1.453
Cl6	0.866	-0.547	-1.453
H7	-1.563	0.910	0.888
H8	-1.563	0.910	-0.888

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5316	2.7750	1.7855	1.7737	1.7737	2.1363	2.1363
C2	1.5316		1.7733	2.6539	2.7289	2.7289	1.0847	1.0847
Cl3	2.7750	1.7733		4.3207	3.3401	3.3401	2.3503	2.3503
Cl4	1.7855	2.6539	4.3207		2.9023	2.9023	2.7932	2.7932
Cl5	1.7737	2.7289	3.3401	2.9023		2.9060	2.8890	3.6750
Cl6	1.7737	2.7289	3.3401	2.9023	2.9060		3.6750	2.8890
H7	2.1363	1.0847	2.3503	2.7932	2.8890	3.6750		1.7756
H8	2.1363	1.0847	2.3503	2.7932	3.6750	2.8890	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	114.003	C1	C2	H7	108.259
C1	C2	H8	108.259	C2	C1	Cl4	106.016
C2	C1	Cl5	111.090	C2	C1	Cl6	111.090
Cl3	C2	H7	108.215	Cl3	C2	H8	108.215
Cl4	C1	Cl5	109.264	Cl4	C1	Cl6	109.264
Cl5	C1	Cl6	110.014	H7	C2	H8	109.855

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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