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	hartrees
Energy at 0K	-1915.040107
Energy at 298.15K
HF Energy	-1914.642512
Nuclear repulsion energy	509.238157

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'	3116	3008	6.22	110.66	0.05	0.10
2	A'	1486	1435	5.44	6.96	0.75	0.86
3	A'	1351	1304	6.59	8.26	0.49	0.66
4	A'	1088	1051	11.00	11.61	0.25	0.40
5	A'	775	748	38.04	30.60	0.42	0.59
6	A'	690	666	75.38	3.09	0.16	0.27
7	A'	505	488	21.31	11.57	0.15	0.26
8	A'	348	336	1.33	15.08	0.20	0.34
9	A'	290	280	1.40	8.00	0.74	0.85
10	A'	227	219	0.16	6.55	0.67	0.80
11	A'	146	141	0.82	1.06	0.69	0.81
12	A"	3210	3098	0.46	54.36	0.75	0.86
13	A"	1248	1204	13.39	6.43	0.75	0.86
14	A"	996	962	38.58	2.86	0.75	0.86
15	A"	680	656	70.48	8.16	0.75	0.86
16	A"	327	316	1.14	4.84	0.75	0.86
17	A"	233	225	1.18	3.91	0.75	0.86
18	A"	108	104	1.63	2.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.251	0.297	0.000
C2	-1.289	0.391	0.000
Cl3	-2.130	-1.294	0.000
Cl4	0.896	2.076	0.000
Cl5	0.896	-0.566	1.529
Cl6	0.896	-0.566	-1.529
H7	-1.628	0.908	0.908
H8	-1.628	0.908	-0.908

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5432	2.8641	1.8917	1.8704	1.8704	2.1743	2.1743
C2	1.5432		1.8834	2.7592	2.8334	2.8334	1.0986	1.0986
Cl3	2.8641	1.8834		4.5291	3.4678	3.4678	2.4349	2.4349
Cl4	1.8917	2.7592	4.5291		3.0520	3.0520	2.9250	2.9250
Cl5	1.8704	2.8334	3.4678	3.0520		3.0580	2.9878	3.8054
Cl6	1.8704	2.8334	3.4678	3.0520	3.0580		3.8054	2.9878
H7	2.1743	1.0986	2.4349	2.9250	2.9878	3.8054		1.8163
H8	2.1743	1.0986	2.4349	2.9250	3.8054	2.9878	1.8163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	113.035	C1	C2	H7	109.634
C1	C2	H8	109.634	C2	C1	Cl4	106.449
C2	C1	Cl5	111.850	C2	C1	Cl6	111.850
Cl3	C2	H7	106.492	Cl3	C2	H8	106.492
Cl4	C1	Cl5	108.433	Cl4	C1	Cl6	108.433
Cl5	C1	Cl6	109.665	H7	C2	H8	111.515

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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