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	hartrees
Energy at 0K	-1456.688695
Energy at 298.15K	-1456.692616
HF Energy	-1455.916335
Nuclear repulsion energy	361.602391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	2940	3.61
2	A₁	1486	1384	7.55
3	A₁	1137	1059	12.38
4	A₁	550	513	8.61
5	A₁	364	339	1.37
6	A₂	330	308	0.00
7	E	3255	3033	3.80
7	E	3255	3033	3.80
8	E	1532	1427	3.88
8	E	1532	1427	3.88
9	E	1156	1077	51.38
9	E	1156	1077	51.37
10	E	779	726	96.34
10	E	779	726	96.34
11	E	362	337	0.62
11	E	362	337	0.62
12	E	252	235	0.30
12	E	252	235	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.765
C2	0.000	0.000	0.241
H3	0.000	-1.018	2.123
H4	0.881	0.509	2.123
H5	-0.881	0.509	2.123
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		1.5244	1.0787	1.0787	1.0787	2.7042	2.7042	2.7042
C2	1.5244		2.1396	2.1396	2.1396	1.7760	1.7760	1.7760
H3	1.0787	2.1396		1.7626	1.7626	3.6604	2.8805	2.8805
H4	1.0787	2.1396	1.7626		1.7626	2.8805	3.6604	2.8805
H5	1.0787	2.1396	1.7626	1.7626		2.8805	2.8805	3.6604
Cl6	2.7042	1.7760	3.6604	2.8805	2.8805		2.8941	2.8941
Cl7	2.7042	1.7760	2.8805	3.6604	2.8805	2.8941		2.8941
Cl8	2.7042	1.7760	2.8805	2.8805	3.6604	2.8941	2.8941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.807	C1	C2	Cl7	109.807
C1	C2	Cl8	109.807	C2	C1	H3	109.368
C2	C1	H4	109.368	C2	C1	H5	109.368
H3	C1	H4	109.574	H3	C1	H5	109.574
H4	C1	H5	109.574	Cl6	C2	Cl7	109.134
Cl6	C2	Cl8	109.134	Cl7	C2	Cl8	109.134

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

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

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/6-31+G**

States and conformations

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