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	hartrees
Energy at 0K	-2648.961621
Energy at 298.15K
HF Energy	-2648.538447
Nuclear repulsion energy	162.936533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3146	3004
2	A'	3121	2980
3	A'	3063	2925
4	A'	1544	1474
5	A'	1532	1463
6	A'	1457	1391
7	A'	1313	1254
8	A'	1107	1057
9	A'	1000	955
10	A'	575	549
11	A'	294	281
12	A"	3193	3049
13	A"	3163	3020
14	A"	1532	1463
15	A"	1296	1237
16	A"	1056	1009
17	A"	784	749
18	A"	272	260

Atom	x (Å)	y (Å)	z (Å)
C1	-0.579	-2.035	0.000
C2	0.607	-1.085	0.000
Br3	0.000	0.798	0.000
H4	1.229	-1.190	0.893
H5	1.229	-1.190	-0.893
H6	-0.217	-3.073	0.000
H7	-1.202	-1.882	0.889
H8	-1.202	-1.882	-0.889

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5195	2.8922	2.1864	2.1864	1.0993	1.0956	1.0956
C2	1.5195		1.9789	1.0932	1.0932	2.1516	2.1666	2.1666
Br3	2.8922	1.9789		2.5021	2.5021	3.8775	3.0690	3.0690
H4	2.1864	1.0932	2.5021		1.7858	2.5363	2.5267	3.0918
H5	2.1864	1.0932	2.5021	1.7858		2.5363	3.0918	2.5267
H6	1.0993	2.1516	3.8775	2.5363	2.5363		1.7825	1.7825
H7	1.0956	2.1666	3.0690	2.5267	3.0918	1.7825		1.7777
H8	1.0956	2.1666	3.0690	3.0918	2.5267	1.7825	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.841	C1	C2	H4	112.595
C1	C2	H5	112.595	C2	C1	H6	109.446
C2	C1	H7	110.847	C2	C1	H8	110.847
Br3	C2	H4	105.400	Br3	C2	H5	105.400
H4	C2	H5	109.525	H6	C1	H7	108.604
H6	C1	H8	108.604	H7	C1	H8	108.433

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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