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	hartrees
Energy at 0K	-2651.801213
Energy at 298.15K
HF Energy	-2651.143366
Nuclear repulsion energy	164.397215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3112	3009
2	A'	3096	2993
3	A'	3034	2933
4	A'	1508	1458
5	A'	1497	1447
6	A'	1419	1372
7	A'	1287	1244
8	A'	1089	1053
9	A'	986	953
10	A'	589	570
11	A'	287	277
12	A"	3163	3058
13	A"	3124	3020
14	A"	1498	1448
15	A"	1272	1230
16	A"	1042	1008
17	A"	774	748
18	A"	259	251

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	-2.020	0.000
C2	0.604	-1.067	0.000
Br3	0.000	0.790	0.000
H4	1.222	-1.172	0.889
H5	1.222	-1.172	-0.889
H6	-0.213	-3.052	0.000
H7	-1.197	-1.869	0.885
H8	-1.197	-1.869	-0.885

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5171	2.8685	2.1780	2.1780	1.0941	1.0912	1.0912
C2	1.5171		1.9529	1.0877	1.0877	2.1461	2.1605	2.1605
Br3	2.8685	1.9529		2.4769	2.4769	3.8477	3.0471	3.0471
H4	2.1780	1.0877	2.4769		1.7775	2.5259	2.5168	3.0792
H5	2.1780	1.0877	2.4769	1.7775		2.5259	3.0792	2.5168
H6	1.0941	2.1461	3.8477	2.5259	2.5259		1.7750	1.7750
H7	1.0912	2.1605	3.0471	2.5168	3.0792	1.7750		1.7705
H8	1.0912	2.1605	3.0471	3.0792	2.5168	1.7750	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.892	C1	C2	H4	112.421
C1	C2	H5	112.421	C2	C1	H6	109.476
C2	C1	H7	110.798	C2	C1	H8	110.798
Br3	C2	H4	105.538	Br3	C2	H5	105.538
H4	C2	H5	109.590	H6	C1	H7	108.632
H6	C1	H8	108.632	H7	C1	H8	108.446

All results from a given calculation for C₂H₅Br (Ethyl bromide)

using model chemistry: QCISD(T)/aug-cc-pVTZ

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 C2H5Br (Ethyl bromide)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅Br (Ethyl bromide)