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	hartrees
Energy at 0K	-1449.827357
Energy at 298.15K	-1449.831129
HF Energy	-1449.237479
Nuclear repulsion energy	357.618328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	2958	0.56
2	A₁	1507	1434	13.62
3	A₁	1056	1005	13.48
4	A₁	516	491	10.96
5	A₁	350	332	1.48
6	A₂	321	305	0.00
7	E	3200	3044	1.09
7	E	3200	3044	1.09
8	E	1577	1500	5.60
8	E	1577	1500	5.60
9	E	1182	1124	49.52
9	E	1182	1124	49.52
10	E	703	669	109.46
10	E	703	669	109.46
11	E	353	336	0.89
11	E	353	336	0.89
12	E	248	236	0.32
12	E	248	236	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.782
C2	0.000	0.000	0.251
H3	0.000	-1.033	2.140
H4	0.894	0.516	2.140
H5	-0.894	0.516	2.140
Cl6	0.000	1.695	-0.365
Cl7	-1.468	-0.847	-0.365
Cl8	1.468	-0.847	-0.365

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5313	1.0927	1.0927	1.0927	2.7355	2.7355	2.7355
C2	1.5313		2.1525	2.1525	2.1525	1.8032	1.8032	1.8032
H3	1.0927	2.1525		1.7885	1.7885	3.7029	2.9090	2.9090
H4	1.0927	2.1525	1.7885		1.7885	2.9090	3.7029	2.9090
H5	1.0927	2.1525	1.7885	1.7885		2.9090	2.9090	3.7029
Cl6	2.7355	1.8032	3.7029	2.9090	2.9090		2.9352	2.9352
Cl7	2.7355	1.8032	2.9090	3.7029	2.9090	2.9352		2.9352
Cl8	2.7355	1.8032	2.9090	2.9090	3.7029	2.9352	2.9352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.979	C1	C2	Cl7	109.979
C1	C2	Cl8	109.979	C2	C1	H3	109.092
C2	C1	H4	109.092	C2	C1	H5	109.092
H3	C1	H4	109.848	H3	C1	H5	109.848
H4	C1	H5	109.848	Cl6	C2	Cl7	108.959
Cl6	C2	Cl8	108.959	Cl7	C2	Cl8	108.959

All results from a given calculation for CH₃CCl₃ (Ethane, 1,1,1-trichloro-)

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 CH3CCl3 (Ethane, 1,1,1-trichloro-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for CH₃CCl₃ (Ethane, 1,1,1-trichloro-)