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	hartrees
Energy at 0K	-2649.060792
Energy at 298.15K
HF Energy	-2648.562638
Nuclear repulsion energy	163.267247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3173	3173
2	A'	3149	3149
3	A'	3087	3087
4	A'	1535	1535
5	A'	1526	1526
6	A'	1459	1459
7	A'	1328	1328
8	A'	1106	1106
9	A'	1001	1001
10	A'	574	574
11	A'	294	294
12	A"	3223	3223
13	A"	3190	3190
14	A"	1525	1525
15	A"	1297	1297
16	A"	1066	1066
17	A"	790	790
18	A"	271	271

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	-2.041	0.000
C2	0.599	-1.079	0.000
Br3	0.000	0.799	0.000
H4	1.218	-1.186	0.888
H5	1.218	-1.186	-0.888
H6	-0.196	-3.066	0.000
H7	-1.195	-1.900	0.885
H8	-1.195	-1.900	-0.885

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5176	2.8968	2.1752	2.1752	1.0931	1.0897	1.0897
C2	1.5176		1.9708	1.0873	1.0873	2.1405	2.1627	2.1627
Br3	2.8968	1.9708		2.4920	2.4920	3.8696	3.0810	3.0810
H4	2.1752	1.0873	2.4920		1.7756	2.5144	2.5165	3.0780
H5	2.1752	1.0873	2.4920	1.7756		2.5144	3.0780	2.5165
H6	1.0931	2.1405	3.8696	2.5144	2.5144		1.7722	1.7722
H7	1.0897	2.1627	3.0810	2.5165	3.0780	1.7722		1.7691
H8	1.0897	2.1627	3.0810	3.0780	2.5165	1.7722	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.618	C1	C2	H4	112.182
C1	C2	H5	112.182	C2	C1	H6	109.066
C2	C1	H7	111.021	C2	C1	H8	111.021
Br3	C2	H4	105.480	Br3	C2	H5	105.480
H4	C2	H5	109.478	H6	C1	H7	108.567
H6	C1	H8	108.567	H7	C1	H8	108.534

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

using model chemistry: QCISD(T)=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 C2H5Br (Ethyl bromide)

using model chemistry: QCISD(T)=FULL/6-31+G**

States and conformations

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