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	hartrees
Energy at 0K	-1915.670970
Energy at 298.15K
HF Energy	-1914.804486
Nuclear repulsion energy	532.570444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	2997	5.40
2	A'	1507	1420	5.25
3	A'	1394	1314	13.35
4	A'	1122	1057	8.83
5	A'	888	837	45.37
6	A'	803	757	91.28
7	A'	574	541	15.38
8	A'	399	376	1.51
9	A'	323	305	0.89
10	A'	252	238	0.08
11	A'	157	148	0.49
12	A"	3252	3065	0.00
13	A"	1279	1205	9.74
14	A"	1027	967	51.57
15	A"	779	734	66.27
16	A"	350	330	0.67
17	A"	254	239	0.97
18	A"	111	104	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.281	0.000
C2	-1.255	0.368	0.000
Cl3	-2.068	-1.208	0.000
Cl4	0.866	1.965	0.000
Cl5	0.866	-0.547	1.453
Cl6	0.866	-0.547	-1.453
H7	-1.565	0.911	0.889
H8	-1.565	0.911	-0.889

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5322	2.7757	1.7853	1.7739	1.7739	2.1383	2.1383
C2	1.5322		1.7731	2.6553	2.7292	2.7292	1.0864	1.0864
Cl3	2.7757	1.7731		4.3217	3.3404	3.3404	2.3514	2.3514
Cl4	1.7853	2.6553	4.3217		2.9023	2.9023	2.7954	2.7954
Cl5	1.7739	2.7292	3.3404	2.9023		2.9063	2.8907	3.6771
Cl6	1.7739	2.7292	3.3404	2.9023	2.9063		3.6771	2.8907
H7	2.1383	1.0864	2.3514	2.7954	2.8907	3.6771		1.7772
H8	2.1383	1.0864	2.3514	2.7954	3.6771	2.8907	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	114.031	C1	C2	H7	108.279
C1	C2	H8	108.279	C2	C1	Cl4	106.081
C2	C1	Cl5	111.068	C2	C1	Cl6	111.068
Cl3	C2	H7	108.228	Cl3	C2	H8	108.228
Cl4	C1	Cl5	109.258	Cl4	C1	Cl6	109.258
Cl5	C1	Cl6	110.006	H7	C2	H8	109.753

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

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

States and conformations

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