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	hartrees
Energy at 0K	-1915.664259
Energy at 298.15K
HF Energy	-1914.801839
Nuclear repulsion energy	532.418085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	2993	5.74
2	A'	1521	1432	4.96
3	A'	1385	1304	14.13
4	A'	1120	1054	10.49
5	A'	878	827	48.29
6	A'	797	750	101.01
7	A'	572	538	17.90
8	A'	398	375	1.83
9	A'	321	303	1.07
10	A'	252	237	0.10
11	A'	158	149	0.62
12	A"	3252	3061	0.22
13	A"	1285	1209	9.17
14	A"	1026	966	54.60
15	A"	774	728	79.21
16	A"	347	326	0.46
17	A"	256	241	0.99
18	A"	118	111	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.281	0.000
C2	-1.254	0.368	0.000
Cl3	-2.063	-1.210	0.000
Cl4	0.864	1.969	0.000
Cl5	0.864	-0.547	1.455
Cl6	0.864	-0.547	-1.455
H7	-1.562	0.911	0.889
H8	-1.562	0.911	-0.889

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5318	2.7740	1.7874	1.7750	1.7750	2.1365	2.1365
C2	1.5318		1.7740	2.6549	2.7280	2.7280	1.0863	1.0863
Cl3	2.7740	1.7740		4.3219	3.3358	3.3358	2.3538	2.3538
Cl4	1.7874	2.6549	4.3219		2.9068	2.9068	2.7926	2.7926
Cl5	1.7750	2.7280	3.3358	2.9068		2.9102	2.8871	3.6756
Cl6	1.7750	2.7280	3.3358	2.9068	2.9102		3.6756	2.8871
H7	2.1365	1.0863	2.3538	2.7926	2.8871	3.6756		1.7782
H8	2.1365	1.0863	2.3538	2.7926	3.6756	2.8871	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.895	C1	C2	H7	108.176
C1	C2	H8	108.176	C2	C1	Cl4	105.974
C2	C1	Cl5	110.955	C2	C1	Cl6	110.955
Cl3	C2	H7	108.349	Cl3	C2	H8	108.349
Cl4	C1	Cl5	109.366	Cl4	C1	Cl6	109.366
Cl5	C1	Cl6	110.125	H7	C2	H8	109.863

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

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

States and conformations

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