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	hartrees
Energy at 0K	-1915.480747
Energy at 298.15K
HF Energy	-1914.798870
Nuclear repulsion energy	534.990283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3003	4.97
2	A'	1567	1447	6.74
3	A'	1434	1325	12.91
4	A'	1158	1069	10.86
5	A'	918	848	56.20
6	A'	830	767	106.72
7	A'	594	549	19.54
8	A'	414	382	2.02
9	A'	333	307	1.15
10	A'	261	241	0.11
11	A'	165	152	0.67
12	A"	3323	3069	0.04
13	A"	1330	1229	10.62
14	A"	1062	981	62.68
15	A"	811	749	78.67
16	A"	358	331	0.58
17	A"	266	245	1.23
18	A"	122	112	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.279	0.000
C2	-1.250	0.367	0.000
Cl3	-2.058	-1.203	0.000
Cl4	0.862	1.956	0.000
Cl5	0.862	-0.544	1.446
Cl6	0.862	-0.544	-1.446
H7	-1.560	0.907	0.886
H8	-1.560	0.907	-0.886

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5270	2.7635	1.7772	1.7651	1.7651	2.1317	2.1317
C2	1.5270		1.7656	2.6437	2.7174	2.7174	1.0830	1.0830
Cl3	2.7635	1.7656		4.3024	3.3249	3.3249	2.3424	2.3424
Cl4	1.7772	2.6437	4.3024		2.8886	2.8886	2.7844	2.7844
Cl5	1.7651	2.7174	3.3249	2.8886		2.8928	2.8791	3.6625
Cl6	1.7651	2.7174	3.3249	2.8886	2.8928		3.6625	2.8791
H7	2.1317	1.0830	2.3424	2.7844	2.8791	3.6625		1.7716
H8	2.1317	1.0830	2.3424	2.7844	3.6625	2.8791	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.942	C1	C2	H7	108.318
C1	C2	H8	108.318	C2	C1	Cl4	106.038
C2	C1	Cl5	111.059	C2	C1	Cl6	111.059
Cl3	C2	H7	108.237	Cl3	C2	H8	108.237
Cl4	C1	Cl5	109.263	Cl4	C1	Cl6	109.263
Cl5	C1	Cl6	110.056	H7	C2	H8	109.749

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

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

States and conformations

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