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	hartrees
Energy at 0K
Energy at 298.15K	-0.050897
HF Energy	-0.050897
Nuclear repulsion energy	172.941091

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'	3055	2976	14.75	96.07	0.14	0.25
2	A'	1359	1324	7.85	26.86	0.62	0.77
3	A'	1264	1231	2.75	74.39	0.25	0.40
4	A'	1150	1120	5.77	9.83	0.18	0.30
5	A'	759	740	22.59	126.41	0.57	0.73
6	A'	691	673	56.68	2.71	0.36	0.53
7	A'	535	521	10.25	41.24	0.06	0.12
8	A'	357	348	1.90	23.41	0.40	0.57
9	A'	289	281	1.84	13.03	0.70	0.82
10	A'	210	204	0.68	11.31	0.65	0.79
11	A'	129	125	0.58	1.30	0.60	0.75
12	A"	2999	2921	16.79	81.53	0.75	0.86
13	A"	1082	1054	11.33	18.60	0.75	0.86
14	A"	935	910	29.76	12.55	0.75	0.86
15	A"	631	615	50.34	49.05	0.75	0.86
16	A"	313	305	0.47	6.54	0.75	0.86
17	A"	217	211	1.25	6.51	0.75	0.86
18	A"	43	42	0.83	3.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.206	0.327	0.000
C2	-1.299	0.338	0.000
Cl3	-1.890	-1.328	0.000
Cl4	0.825	1.975	0.000
Cl5	0.825	-0.492	1.424
Cl6	0.825	-0.492	-1.424
H7	-1.689	0.864	0.891
H8	-1.689	0.864	-0.891

	C1	C2	Cl3	Cl4	Cl5	Cl6	H7	H8
C1		1.5059	2.6709	1.7606	1.7553	1.7553	2.1622	2.1622
C2	1.5059		1.7676	2.6820	2.6888	2.6888	1.1054	1.1054
Cl3	2.6709	1.7676		4.2758	3.1776	3.1776	2.3748	2.3748
Cl4	1.7606	2.6820	4.2758		2.8488	2.8488	2.8893	2.8893
Cl5	1.7553	2.6888	3.1776	2.8488		2.8480	2.9059	3.6766
Cl6	1.7553	2.6888	3.1776	2.8488	2.8480		3.6766	2.9059
H7	2.1622	1.1054	2.3748	2.8893	2.9059	3.6766		1.7813
H8	2.1622	1.1054	2.3748	2.8893	3.6766	2.9059	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.091	C1	C2	H7	110.856
C1	C2	H8	110.856	C2	C1	Cl4	110.142
C2	C1	Cl5	110.842	C2	C1	Cl6	110.842
Cl3	C2	H7	109.322	Cl3	C2	H8	109.322
Cl4	C1	Cl5	108.243	Cl4	C1	Cl6	108.243
Cl5	C1	Cl6	108.442	H7	C2	H8	107.360

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

using model chemistry: PM3

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: PM3

States and conformations

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