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	hartrees
Energy at 0K	-997.907220
Energy at 298.15K	-997.911990
HF Energy	-997.130562
Nuclear repulsion energy	209.120344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	2996	7.37
2	A'	3161	2975	1.82
3	A'	3074	2894	7.11
4	A'	1504	1415	7.07
5	A'	1433	1349	6.99
6	A'	1334	1256	10.75
7	A'	1125	1059	3.52
8	A'	1011	951	10.42
9	A'	669	630	10.36
10	A'	410	386	3.43
11	A'	280	263	1.03
12	A"	3156	2971	8.93
13	A"	1507	1418	1.12
14	A"	1281	1205	36.29
15	A"	1093	1029	33.68
16	A"	743	699	88.41
17	A"	321	302	0.49
18	A"	271	255	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	0.499	0.000
C2	-0.976	1.434	0.000
H3	1.154	1.033	0.000
Cl4	0.212	-0.518	1.465
Cl5	0.212	-0.518	-1.465
H6	-1.902	0.864	0.000
H7	-0.945	2.063	0.888
H8	-0.945	2.063	-0.888

	C1	C2	H3	Cl4	Cl5	H6	H7	H8
C1		1.5118	1.0829	1.7836	1.7836	2.1456	2.1390	2.1390
C2	1.5118		2.1676	2.7147	2.7147	1.0878	1.0890	1.0890
H3	1.0829	2.1676		2.3325	2.3325	3.0612	2.5017	2.5017
Cl4	1.7836	2.7147	2.3325		2.9297	2.9200	2.8875	3.6799
Cl5	1.7836	2.7147	2.3325	2.9297		2.9200	3.6799	2.8875
H6	2.1456	1.0878	3.0612	2.9200	2.9200		1.7731	1.7731
H7	2.1390	1.0890	2.5017	2.8875	3.6799	1.7731		1.7764
H8	2.1390	1.0890	2.5017	3.6799	2.8875	1.7731	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.178	C1	C2	H7	109.587
C1	C2	H8	109.587	C2	C1	H3	112.258
C2	C1	Cl4	110.658	C2	C1	Cl5	110.658
H3	C1	Cl4	106.339	H3	C1	Cl5	106.339
Cl4	C1	Cl5	110.429	H6	C2	H7	109.084
H6	C2	H8	109.084	H7	C2	H8	109.302

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)

using model chemistry: CCSD/cc-pVTZ

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 CH3CHCl2 (Ethane, 1,1-dichloro-)

using model chemistry: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHCl₂ (Ethane, 1,1-dichloro-)