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	hartrees
Energy at 0K	-1906.771050
Energy at 298.15K
HF Energy	-1906.047965
Nuclear repulsion energy	528.568460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3152	2998	2.91	69.88	0.09	0.17
2	A'	1551	1476	9.55	12.04	0.75	0.86
3	A'	1386	1318	5.61	3.30	0.73	0.84
4	A'	1037	986	10.20	1.84	0.26	0.41
5	A'	817	777	30.64	19.30	0.45	0.62
6	A'	742	706	112.78	0.48	0.00	0.01
7	A'	547	520	20.86	8.30	0.13	0.24
8	A'	381	363	1.67	10.62	0.18	0.30
9	A'	313	298	1.06	4.57	0.75	0.85
10	A'	246	234	0.12	3.38	0.70	0.82
11	A'	157	149	0.79	0.60	0.67	0.81
12	A"	3223	3066	0.74	50.76	0.75	0.86
13	A"	1309	1245	8.77	7.64	0.75	0.86
14	A"	1020	970	44.00	2.18	0.75	0.86
15	A"	710	676	92.71	5.93	0.75	0.86
16	A"	345	328	0.85	2.55	0.75	0.86
17	A"	251	239	1.07	2.39	0.75	0.86
18	A"	113	107	1.52	1.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.264	0.291	0.000
C2	-1.275	0.370	0.000
Cl3	-2.046	-1.251	0.000
Cl4	0.863	1.998	0.000
Cl5	0.863	-0.543	1.467
Cl6	0.863	-0.543	-1.467
H7	-1.592	0.902	0.897
H8	-1.592	0.902	-0.897

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5410	2.7774	1.8084	1.7911	1.7911	2.1505	2.1505
C2	1.5410		1.7947	2.6871	2.7491	2.7491	1.0902	1.0902
Cl3	2.7774	1.7947		4.3605	3.3339	3.3339	2.3753	2.3753
Cl4	1.8084	2.6871	4.3605		2.9342	2.9342	2.8350	2.8350
Cl5	1.7911	2.7491	3.3339	2.9342		2.9341	2.9058	3.7025
Cl6	1.7911	2.7491	3.3339	2.9342	2.9341		3.7025	2.9058
H7	2.1505	1.0902	2.3753	2.8350	2.9058	3.7025		1.7945
H8	2.1505	1.0902	2.3753	2.8350	3.7025	2.9058	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	112.522	C1	C2	H7	108.418
C1	C2	H8	108.418	C2	C1	Cl4	106.420
C2	C1	Cl5	110.964	C2	C1	Cl6	110.964
Cl3	C2	H7	108.364	Cl3	C2	H8	108.364
Cl4	C1	Cl5	109.209	Cl4	C1	Cl6	109.209
Cl5	C1	Cl6	109.985	H7	C2	H8	110.773

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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