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	hartrees
Energy at 0K	-7795.368004
Energy at 298.15K	-7795.379752
HF Energy	-7794.619939
Nuclear repulsion energy	968.168157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3064	2963
2	A₁	1390	1344
3	A₁	1079	1044
4	A₁	410	397
5	A₁	217	210
6	A₂	323	312
7	E	3173	3068
7	E	3173	3068
8	E	1467	1418
8	E	1466	1417
9	E	1080	1044
9	E	1080	1044
10	E	638	617
10	E	638	617
11	E	279	270
11	E	279	270
12	E	151	146
12	E	151	146

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.456
C2	0.000	0.000	1.985
Br3	0.000	1.855	-0.207
Br4	1.607	-0.928	-0.207
Br5	-1.607	-0.928	-0.207
H6	0.000	-1.042	2.350
H7	0.902	0.521	2.350
H8	-0.902	0.521	2.350

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5287	1.9698	1.9698	1.9698	2.1615	2.1615	2.1615
C2	1.5287		2.8709	2.8709	2.8709	1.1040	1.1040	1.1040
Br3	1.9698	2.8709		3.2130	3.2130	3.8635	3.0213	3.0213
Br4	1.9698	2.8709	3.2130		3.2130	3.0213	3.0213	3.8635
Br5	1.9698	2.8709	3.2130	3.2130		3.0213	3.8635	3.0213
H6	2.1615	1.1040	3.8635	3.0213	3.0213		1.8047	1.8047
H7	2.1615	1.1040	3.0213	3.0213	3.8635	1.8047		1.8047
H8	2.1615	1.1040	3.0213	3.8635	3.0213	1.8047	1.8047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.310	C1	C2	H7	109.310
C1	C2	H8	109.310	C2	C1	Br3	109.651
C2	C1	Br4	109.651	C2	C1	Br5	109.651
Br3	C1	Br4	109.291	Br3	C1	Br5	109.291
Br4	C1	Br5	109.291	H6	C2	H7	109.632
H6	C2	H8	109.632	H7	C2	H8	109.632

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

using model chemistry: MP4/cc-pVDZ

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: MP4/cc-pVDZ

States and conformations

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