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	hartrees
Energy at 0K	-1456.887349
Energy at 298.15K	-1456.891287
HF Energy	-1455.999123
Nuclear repulsion energy	362.145476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	2942	1.96
2	A₁	1461	1384	13.84
3	A₁	1131	1072	14.08
4	A₁	546	517	9.12
5	A₁	364	344	0.93
6	A₂	346	328	0.00
7	E	3211	3041	2.36
7	E	3211	3041	2.36
8	E	1513	1433	3.97
8	E	1513	1433	3.97
9	E	1141	1081	63.43
9	E	1141	1081	63.43
10	E	769	729	109.29
10	E	769	729	109.29
11	E	362	343	1.07
11	E	362	343	1.07
12	E	258	245	0.11
12	E	258	245	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.749
C2	0.000	0.000	0.237
H3	0.000	-1.027	2.114
H4	0.889	0.514	2.114
H5	-0.889	0.514	2.114
Cl6	0.000	1.676	-0.358
Cl7	-1.451	-0.838	-0.358
Cl8	1.451	-0.838	-0.358

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5117	1.0899	1.0899	1.0899	2.6920	2.6920	2.6920
C2	1.5117		2.1391	2.1391	2.1391	1.7782	1.7782	1.7782
H3	1.0899	2.1391		1.7790	1.7790	3.6625	2.8724	2.8724
H4	1.0899	2.1391	1.7790		1.7790	2.8725	3.6625	2.8724
H5	1.0899	2.1391	1.7790	1.7790		2.8725	2.8724	3.6625
Cl6	2.6920	1.7782	3.6625	2.8725	2.8725		2.9022	2.9022
Cl7	2.6920	1.7782	2.8724	3.6625	2.8724	2.9022		2.9022
Cl8	2.6920	1.7782	2.8724	2.8724	3.6625	2.9022	2.9022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.560	C1	C2	Cl7	109.560
C1	C2	Cl8	109.560	C2	C1	H3	109.550
C2	C1	H4	109.550	C2	C1	H5	109.550
H3	C1	H4	109.392	H3	C1	H5	109.392
H4	C1	H5	109.392	Cl6	C2	Cl7	109.382
Cl6	C2	Cl8	109.382	Cl7	C2	Cl8	109.382

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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