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	hartrees
Energy at 0K	-7795.268513
Energy at 298.15K	-7795.280400
HF Energy	-7794.585789
Nuclear repulsion energy	976.718938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2935	2.49
2	A₁	1431	1360	6.13
3	A₁	1090	1036	5.30
4	A₁	425	403	4.09
5	A₁	224	213	0.02
6	A₂	350	333	0.00
7	E	3193	3034	2.54
7	E	3193	3034	2.54
8	E	1491	1417	3.09
8	E	1491	1417	3.09
9	E	1111	1055	45.63
9	E	1111	1055	45.63
10	E	666	633	70.60
10	E	666	633	70.60
11	E	289	275	1.14
11	E	289	275	1.14
12	E	156	148	0.00
12	E	156	148	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.445
C2	0.000	0.000	1.964
Br3	0.000	1.840	-0.204
Br4	1.593	-0.920	-0.204
Br5	-1.593	-0.920	-0.204
H6	0.000	-1.030	2.328
H7	0.892	0.515	2.328
H8	-0.892	0.515	2.328

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5186	1.9509	1.9509	1.9509	2.1458	2.1458	2.1458
C2	1.5186		2.8433	2.8433	2.8433	1.0921	1.0921	1.0921
Br3	1.9509	2.8433		3.1863	3.1863	3.8267	2.9936	2.9936
Br4	1.9509	2.8433	3.1863		3.1863	2.9936	2.9936	3.8267
Br5	1.9509	2.8433	3.1863	3.1863		2.9936	3.8267	2.9936
H6	2.1458	1.0921	3.8267	2.9936	2.9936		1.7833	1.7833
H7	2.1458	1.0921	2.9936	2.9936	3.8267	1.7833		1.7833
H8	2.1458	1.0921	2.9936	3.8267	2.9936	1.7833	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.474	C1	C2	H7	109.474
C1	C2	H8	109.474	C2	C1	Br3	109.444
C2	C1	Br4	109.444	C2	C1	Br5	109.444
Br3	C1	Br4	109.498	Br3	C1	Br5	109.498
Br4	C1	Br5	109.498	H6	C2	H7	109.468
H6	C2	H8	109.468	H7	C2	H8	109.468

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

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

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: MP2/6-311G**

States and conformations

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