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	hartrees
Energy at 0K	-1915.825995
Energy at 298.15K
HF Energy	-1914.916740
Nuclear repulsion energy	532.504911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	2992	6.73
2	A'	1477	1409	3.22
3	A'	1379	1316	16.12
4	A'	1115	1064	9.79
5	A'	872	832	50.52
6	A'	794	757	108.51
7	A'	569	543	16.81
8	A'	398	379	1.36
9	A'	323	308	0.79
10	A'	255	243	0.01
11	A'	161	154	0.55
12	A"	3202	3055	0.25
13	A"	1281	1222	8.04
14	A"	1019	972	60.34
15	A"	770	735	83.29
16	A"	351	334	0.83
17	A"	260	248	0.51
18	A"	123	117	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.281	0.000
C2	-1.251	0.368	0.000
Cl3	-2.060	-1.211	0.000
Cl4	0.862	1.971	0.000
Cl5	0.862	-0.548	1.456
Cl6	0.862	-0.548	-1.456
H7	-1.562	0.909	0.893
H8	-1.562	0.909	-0.893

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5314	2.7738	1.7872	1.7746	1.7746	2.1398	2.1398
C2	1.5314		1.7742	2.6522	2.7247	2.7247	1.0898	1.0898
Cl3	2.7738	1.7742		4.3199	3.3315	3.3315	2.3540	2.3540
Cl4	1.7872	2.6522	4.3199		2.9089	2.9089	2.7933	2.7933
Cl5	1.7746	2.7247	3.3315	2.9089		2.9124	2.8839	3.6769
Cl6	1.7746	2.7247	3.3315	2.9089	2.9124		3.6769	2.8839
H7	2.1398	1.0898	2.3540	2.7933	2.8839	3.6769		1.7863
H8	2.1398	1.0898	2.3540	2.7933	3.6769	2.8839	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.890	C1	C2	H7	108.255
C1	C2	H8	108.255	C2	C1	Cl4	105.844
C2	C1	Cl5	110.791	C2	C1	Cl6	110.791
Cl3	C2	H7	108.168	Cl3	C2	H8	108.168
Cl4	C1	Cl5	109.512	Cl4	C1	Cl6	109.512
Cl5	C1	Cl6	110.287	H7	C2	H8	110.083

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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