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	hartrees
Energy at 0K	-1915.658066
Energy at 298.15K
HF Energy	-1914.801891
Nuclear repulsion energy	533.018091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	2990	5.46
2	A'	1526	1431	5.18
3	A'	1394	1307	13.09
4	A'	1127	1057	10.23
5	A'	892	836	46.64
6	A'	808	758	93.11
7	A'	576	540	17.31
8	A'	401	376	1.77
9	A'	323	303	1.10
10	A'	253	238	0.11
11	A'	159	149	0.60
12	A"	3262	3058	0.16
13	A"	1291	1211	8.85
14	A"	1032	967	54.06
15	A"	784	735	71.74
16	A"	348	327	0.45
17	A"	258	242	1.04
18	A"	119	111	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.281	0.000
C2	-1.253	0.367	0.000
Cl3	-2.062	-1.209	0.000
Cl4	0.863	1.966	0.000
Cl5	0.863	-0.547	1.453
Cl6	0.863	-0.547	-1.453
H7	-1.561	0.910	0.888
H8	-1.561	0.910	-0.888

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5310	2.7717	1.7847	1.7729	1.7729	2.1350	2.1350
C2	1.5310		1.7712	2.6528	2.7252	2.7252	1.0858	1.0858
Cl3	2.7717	1.7712		4.3172	3.3328	3.3328	2.3516	2.3516
Cl4	1.7847	2.6528	4.3172		2.9029	2.9029	2.7899	2.7899
Cl5	1.7729	2.7252	3.3328	2.9029		2.9067	2.8847	3.6722
Cl6	1.7729	2.7252	3.3328	2.9029	2.9067		3.6722	2.8847
H7	2.1350	1.0858	2.3516	2.7899	2.8847	3.6722		1.7764
H8	2.1350	1.0858	2.3516	2.7899	3.6722	2.8847	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.950	C1	C2	H7	108.144
C1	C2	H8	108.144	C2	C1	Cl4	106.024
C2	C1	Cl5	110.936	C2	C1	Cl6	110.936
Cl3	C2	H7	108.395	Cl3	C2	H8	108.395
Cl4	C1	Cl5	109.365	Cl4	C1	Cl6	109.365
Cl5	C1	Cl6	110.117	H7	C2	H8	109.772

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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