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	hartrees
Energy at 0K	-7787.929250
Energy at 298.15K	-7787.941203
HF Energy	-7787.195102
Nuclear repulsion energy	982.289388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2938	2.42
2	A₁	1458	1369	8.23
3	A₁	1106	1039	3.78
4	A₁	430	404	3.84
5	A₁	229	215	0.03
6	A₂	378	355	0.00
7	E	3242	3044	1.39
7	E	3242	3044	1.39
8	E	1528	1435	4.62
8	E	1528	1435	4.62
9	E	1129	1061	40.43
9	E	1129	1061	40.43
10	E	667	626	66.70
10	E	667	626	66.70
11	E	296	278	1.09
11	E	296	278	1.09
12	E	160	151	0.03
12	E	160	151	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.464
C2	0.000	0.000	1.975
Br3	0.000	1.825	-0.206
Br4	1.581	-0.913	-0.206
Br5	-1.581	-0.913	-0.206
H6	0.000	-1.027	2.335
H7	0.889	0.513	2.335
H8	-0.889	0.513	2.335

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5115	1.9441	1.9441	1.9441	2.1341	2.1341	2.1341
C2	1.5115		2.8440	2.8440	2.8440	1.0877	1.0877	1.0877
Br3	1.9441	2.8440		3.1611	3.1611	3.8193	2.9943	2.9943
Br4	1.9441	2.8440	3.1611		3.1611	2.9943	2.9943	3.8193
Br5	1.9441	2.8440	3.1611	3.1611		2.9943	3.8193	2.9943
H6	2.1341	1.0877	3.8193	2.9943	2.9943		1.7782	1.7782
H7	2.1341	1.0877	2.9943	2.9943	3.8193	1.7782		1.7782
H8	2.1341	1.0877	2.9943	3.8193	2.9943	1.7782	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.294	C1	C2	H7	109.294
C1	C2	H8	109.294	C2	C1	Br3	110.149
C2	C1	Br4	110.149	C2	C1	Br5	110.149
Br3	C1	Br4	108.785	Br3	C1	Br5	108.785
Br4	C1	Br5	108.785	H6	C2	H7	109.648
H6	C2	H8	109.648	H7	C2	H8	109.648

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

using model chemistry: MP2=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 CH3CBr3 (1,1,1-tribromoethane)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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