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	hartrees
Energy at 0K	-1456.642582
Energy at 298.15K	-1456.646407
HF Energy	-1455.908922
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3083	2966
2	A₁	1461	1405
3	A₁	1122	1079
4	A₁	538	517
5	A₁	358	344
6	A₂	320	308
7	E	3177	3057
7	E	3177	3056
8	E	1522	1464
8	E	1521	1463
9	E	1140	1097
9	E	1140	1097
10	E	755	727
10	E	755	727
11	E	354	341
11	E	354	341
12	E	251	241
12	E	250	241

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.765
C2	0.000	0.000	0.244
H3	0.000	-1.033	2.128
H4	0.895	0.517	2.128
H5	-0.895	0.517	2.128
Cl6	0.000	1.683	-0.361
Cl7	-1.458	-0.842	-0.361
Cl8	1.458	-0.842	-0.361

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5211	1.0951	1.0951	1.0951	2.7119	2.7119	2.7119
C2	1.5211		2.1491	2.1491	2.1491	1.7888	1.7888	1.7888
H3	1.0951	2.1491		1.7893	1.7893	3.6847	2.8914	2.8914
H4	1.0951	2.1491	1.7893		1.7893	2.8914	3.6847	2.8914
H5	1.0951	2.1491	1.7893	1.7893		2.8914	2.8914	3.6847
Cl6	2.7119	1.7888	3.6847	2.8914	2.8914		2.9155	2.9155
Cl7	2.7119	1.7888	2.8914	3.6847	2.8914	2.9155		2.9155
Cl8	2.7119	1.7888	2.8914	2.8914	3.6847	2.9155	2.9155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.776	C1	C2	Cl7	109.776
C1	C2	Cl8	109.776	C2	C1	H3	109.382
C2	C1	H4	109.382	C2	C1	H5	109.382
H3	C1	H4	109.561	H3	C1	H5	109.561
H4	C1	H5	109.561	Cl6	C2	Cl7	109.165
Cl6	C2	Cl8	109.165	Cl7	C2	Cl8	109.165

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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