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	hartrees
Energy at 0K	-1917.469479
Energy at 298.15K
HF Energy	-1917.187964
Nuclear repulsion energy	530.511641

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'	3153	3153	5.05	84.44	0.08	0.15
2	A'	1497	1497	5.64	10.03	0.75	0.86
3	A'	1354	1354	13.79	3.08	0.66	0.80
4	A'	1083	1083	13.92	2.89	0.19	0.31
5	A'	834	834	40.23	21.53	0.46	0.63
6	A'	762	762	142.61	0.61	0.04	0.07
7	A'	557	557	22.86	9.35	0.10	0.18
8	A'	388	388	2.35	10.60	0.17	0.29
9	A'	315	315	1.11	4.54	0.75	0.86
10	A'	246	246	0.07	3.27	0.71	0.83
11	A'	155	155	0.71	0.66	0.67	0.80
12	A"	3227	3227	0.01	56.93	0.75	0.86
13	A"	1262	1262	11.14	6.08	0.75	0.86
14	A"	999	999	57.93	1.94	0.75	0.86
15	A"	731	731	105.93	6.10	0.75	0.86
16	A"	341	341	1.00	2.75	0.75	0.86
17	A"	250	250	0.93	2.11	0.75	0.86
18	A"	113	113	1.25	1.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	0.280	0.000
C2	-1.255	0.372	0.000
Cl3	-2.073	-1.210	0.000
Cl4	0.868	1.976	0.000
Cl5	0.868	-0.552	1.460
Cl6	0.868	-0.552	-1.460
H7	-1.565	0.913	0.891
H8	-1.565	0.913	-0.891

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5315	2.7799	1.7974	1.7821	1.7821	2.1383	2.1383
C2	1.5315		1.7808	2.6613	2.7371	2.7371	1.0870	1.0870
Cl3	2.7799	1.7808		4.3363	3.3492	3.3492	2.3576	2.3576
Cl4	1.7974	2.6613	4.3363		2.9189	2.9189	2.8003	2.8003
Cl5	1.7821	2.7371	3.3492	2.9189		2.9199	2.8957	3.6860
Cl6	1.7821	2.7371	3.3492	2.9189	2.9199		3.6860	2.8957
H7	2.1383	1.0870	2.3576	2.8003	2.8957	3.6860		1.7812
H8	2.1383	1.0870	2.3576	2.8003	3.6860	2.8957	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.916	C1	C2	H7	108.295
C1	C2	H8	108.295	C2	C1	Cl4	105.879
C2	C1	Cl5	111.155	C2	C1	Cl6	111.155
Cl3	C2	H7	108.140	Cl3	C2	H8	108.140
Cl4	C1	Cl5	109.263	Cl4	C1	Cl6	109.263
Cl5	C1	Cl6	110.017	H7	C2	H8	110.030

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G**

States and conformations

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