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	hartrees
Energy at 0K	-1915.070377
Energy at 298.15K
HF Energy	-1914.669317
Nuclear repulsion energy	511.708823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	2997	1.96
2	A'	1515	1454	8.65
3	A'	1359	1304	7.32
4	A'	1114	1069	7.82
5	A'	781	749	34.77
6	A'	695	667	78.06
7	A'	512	491	20.24
8	A'	353	338	1.37
9	A'	291	279	1.48
10	A'	228	219	0.23
11	A'	146	140	0.91
12	A"	3198	3069	0.13
13	A"	1266	1215	10.59
14	A"	986	946	40.75
15	A"	682	654	70.34
16	A"	327	313	0.47
17	A"	232	223	1.43
18	A"	105	101	1.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.251	0.292	0.000
C2	-1.271	0.391	0.000
Cl3	-2.133	-1.274	0.000
Cl4	0.894	2.062	0.000
Cl5	0.894	-0.568	1.521
Cl6	0.894	-0.568	-1.521
H7	-1.607	0.913	0.901
H8	-1.607	0.913	-0.901

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5247	2.8527	1.8827	1.8621	1.8621	2.1559	2.1559
C2	1.5247		1.8754	2.7346	2.8142	2.8142	1.0944	1.0944
Cl3	2.8527	1.8754		4.5049	3.4610	3.4610	2.4235	2.4235
Cl4	1.8827	2.7346	4.5049		3.0376	3.0376	2.8961	2.8961
Cl5	1.8621	2.8142	3.4610	3.0376		3.0422	2.9717	3.7836
Cl6	1.8621	2.8142	3.4610	3.0376	3.0422		3.7836	2.9717
H7	2.1559	1.0944	2.4235	2.8961	2.9717	3.7836		1.8028
H8	2.1559	1.0944	2.4235	2.8961	3.7836	2.9717	1.8028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.669	C1	C2	H7	109.709
C1	C2	H8	109.709	C2	C1	Cl4	106.271
C2	C1	Cl5	112.008	C2	C1	Cl6	112.008
Cl3	C2	H7	106.392	Cl3	C2	H8	106.392
Cl4	C1	Cl5	108.416	Cl4	C1	Cl6	108.416
Cl5	C1	Cl6	109.550	H7	C2	H8	110.900

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)