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	hartrees
Energy at 0K	-1906.831375
Energy at 298.15K
HF Energy	-1906.047566
Nuclear repulsion energy	527.080126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	2987	2.69
2	A'	1535	1476	9.11
3	A'	1372	1319	5.71
4	A'	1031	990	8.32
5	A'	815	784	34.07
6	A'	735	706	91.72
7	A'	542	521	18.19
8	A'	377	363	1.50
9	A'	309	297	0.98
10	A'	244	234	0.13
11	A'	156	150	0.71
12	A"	3173	3049	0.20
13	A"	1297	1247	7.98
14	A"	1008	969	40.35
15	A"	712	685	77.23
16	A"	340	327	0.70
17	A"	249	240	1.10
18	A"	111	107	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	0.293	0.000
C2	-1.278	0.371	0.000
Cl3	-2.055	-1.255	0.000
Cl4	0.867	2.002	0.000
Cl5	0.867	-0.544	1.471
Cl6	0.867	-0.544	-1.471
H7	-1.598	0.903	0.899
H8	-1.598	0.903	-0.899

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5455	2.7888	1.8116	1.7956	1.7956	2.1578	2.1578
C2	1.5455		1.8012	2.6943	2.7565	2.7565	1.0931	1.0931
Cl3	2.7888	1.8012		4.3745	3.3469	3.3469	2.3819	2.3819
Cl4	1.8116	2.6943	4.3745		2.9398	2.9398	2.8443	2.8443
Cl5	1.7956	2.7565	3.3469	2.9398		2.9418	2.9151	3.7131
Cl6	1.7956	2.7565	3.3469	2.9398	2.9418		3.7131	2.9151
H7	2.1578	1.0931	2.3819	2.8443	2.9151	3.7131		1.7979
H8	2.1578	1.0931	2.3819	2.8443	3.7131	2.9151	1.7979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.654	C1	C2	H7	108.507
C1	C2	H8	108.507	C2	C1	Cl4	106.483
C2	C1	Cl5	110.961	C2	C1	Cl6	110.961
Cl3	C2	H7	108.267	Cl3	C2	H8	108.267
Cl4	C1	Cl5	109.171	Cl4	C1	Cl6	109.171
Cl5	C1	Cl6	110.004	H7	C2	H8	110.650

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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