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	hartrees
Energy at 0K	-1456.774151
Energy at 298.15K	-1456.778079
Nuclear repulsion energy	360.859907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2942	3.50
2	A₁	1454	1387	4.77
3	A₁	1125	1074	12.74
4	A₁	542	517	9.00
5	A₁	361	344	1.06
6	A₂	341	325	0.00
7	E	3175	3029	5.12
7	E	3175	3029	5.12
8	E	1495	1426	2.04
8	E	1495	1426	2.04
9	E	1133	1081	56.79
9	E	1133	1081	56.79
10	E	769	734	106.46
10	E	769	734	106.46
11	E	359	343	0.80
11	E	359	343	0.80
12	E	256	244	0.10
12	E	256	244	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.757
C2	0.000	0.000	0.237
H3	0.000	-1.030	2.121
H4	0.892	0.515	2.121
H5	-0.892	0.515	2.121
Cl6	0.000	1.681	-0.359
Cl7	-1.456	-0.841	-0.359
Cl8	1.456	-0.841	-0.359

	C1	C2	H3	H4	H5	Cl6	Cl7	Cl8
C1		1.5195	1.0927	1.0927	1.0927	2.7026	2.7026	2.7026
C2	1.5195		2.1471	2.1471	2.1471	1.7841	1.7841	1.7841
H3	1.0927	2.1471		1.7844	1.7844	3.6748	2.8823	2.8823
H4	1.0927	2.1471	1.7844		1.7844	2.8823	3.6748	2.8823
H5	1.0927	2.1471	1.7844	1.7844		2.8823	2.8823	3.6748
Cl6	2.7026	1.7841	3.6748	2.8823	2.8823		2.9124	2.9124
Cl7	2.7026	1.7841	2.8823	3.6748	2.8823	2.9124		2.9124
Cl8	2.7026	1.7841	2.8823	2.8823	3.6748	2.9124	2.9124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.527	C1	C2	Cl7	109.527
C1	C2	Cl8	109.527	C2	C1	H3	109.476
C2	C1	H4	109.476	C2	C1	H5	109.476
H3	C1	H4	109.467	H3	C1	H5	109.467
H4	C1	H5	109.467	Cl6	C2	Cl7	109.415
Cl6	C2	Cl8	109.415	Cl7	C2	Cl8	109.415

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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