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	hartrees
Energy at 0K	-1456.650536
Energy at 298.15K	-1456.654445
HF Energy	-1455.909281
Nuclear repulsion energy	361.621558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2939	2.05
2	A₁	1484	1393	11.30
3	A₁	1142	1072	13.60
4	A₁	552	518	10.32
5	A₁	365	343	1.89
6	A₂	328	308	0.00
7	E	3226	3027	2.57
7	E	3226	3027	2.57
8	E	1540	1445	4.59
8	E	1540	1445	4.59
9	E	1159	1088	57.00
9	E	1159	1088	57.01
10	E	782	734	98.42
10	E	782	734	98.41
11	E	361	339	0.56
11	E	361	339	0.56
12	E	256	240	0.37
12	E	256	240	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.764
C2	0.000	0.000	0.240
H3	0.000	-1.022	2.122
H4	0.885	0.511	2.122
H5	-0.885	0.511	2.122
Cl6	0.000	1.671	-0.361
Cl7	-1.447	-0.835	-0.361
Cl8	1.447	-0.835	-0.361

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5240	1.0830	1.0830	1.0830	2.7029	2.7029	2.7029
C2	1.5240		2.1419	2.1419	2.1419	1.7754	1.7754	1.7754
H3	1.0830	2.1419		1.7701	1.7701	3.6627	2.8798	2.8798
H4	1.0830	2.1419	1.7701		1.7701	2.8798	3.6627	2.8798
H5	1.0830	2.1419	1.7701	1.7701		2.8798	2.8798	3.6627
Cl6	2.7029	1.7754	3.6627	2.8798	2.8798		2.8938	2.8938
Cl7	2.7029	1.7754	2.8798	3.6627	2.8798	2.8938		2.8938
Cl8	2.7029	1.7754	2.8798	2.8798	3.6627	2.8938	2.8938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.773	C1	C2	Cl7	109.773
C1	C2	Cl8	109.773	C2	C1	H3	109.320
C2	C1	H4	109.320	C2	C1	H5	109.320
H3	C1	H4	109.622	H3	C1	H5	109.622
H4	C1	H5	109.622	Cl6	C2	Cl7	109.168
Cl6	C2	Cl8	109.168	Cl7	C2	Cl8	109.168

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

using model chemistry: MP3=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 CH3CCl3 (Ethane, 1,1,1-trichloro-)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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