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	hartrees
Energy at 0K	-7796.468045
Energy at 298.15K	-7796.479942
HF Energy	-7794.581447
Nuclear repulsion energy	978.685472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	2932	2.22
2	A₁	1453	1376	12.02
3	A₁	1097	1039	4.99
4	A₁	426	404	4.33
5	A₁	225	213	0.02
6	A₂	356	338	0.00
7	E	3200	3031	2.10
7	E	3200	3031	2.10
8	E	1513	1433	4.59
8	E	1513	1433	4.59
9	E	1126	1067	49.11
9	E	1126	1067	49.11
10	E	668	633	72.38
10	E	668	633	72.37
11	E	291	276	1.34
11	E	291	276	1.34
12	E	157	149	0.01
12	E	157	149	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.446
C2	0.000	0.000	1.962
Br3	0.000	1.835	-0.204
Br4	1.590	-0.918	-0.204
Br5	-1.590	-0.918	-0.204
H6	0.000	-1.028	2.327
H7	0.890	0.514	2.327
H8	-0.890	0.514	2.327

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5153	1.9473	1.9473	1.9473	2.1433	2.1433	2.1433
C2	1.5153		2.8390	2.8390	2.8390	1.0908	1.0908	1.0908
Br3	1.9473	2.8390		3.1791	3.1791	3.8218	2.9911	2.9911
Br4	1.9473	2.8390	3.1791		3.1791	2.9911	2.9911	3.8218
Br5	1.9473	2.8390	3.1791	3.1791		2.9911	3.8218	2.9911
H6	2.1433	1.0908	3.8218	2.9911	2.9911		1.7801	1.7801
H7	2.1433	1.0908	2.9911	2.9911	3.8218	1.7801		1.7801
H8	2.1433	1.0908	2.9911	3.8218	2.9911	1.7801	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.579	C1	C2	H7	109.579
C1	C2	H8	109.579	C2	C1	Br3	109.517
C2	C1	Br4	109.517	C2	C1	Br5	109.517
Br3	C1	Br4	109.425	Br3	C1	Br5	109.425
Br4	C1	Br5	109.425	H6	C2	H7	109.363
H6	C2	H8	109.363	H7	C2	H8	109.363

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)

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 CH3CBr3 (1,1,1-tribromoethane)

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

States and conformations

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)