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	hartrees
Energy at 0K	-2651.510997
Energy at 298.15K
HF Energy	-2651.040988
Nuclear repulsion energy	163.919345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3005	26.52
2	A'	3127	2986	8.12
3	A'	3067	2929	18.87
4	A'	1522	1454	1.77
5	A'	1511	1444	0.94
6	A'	1446	1381	3.47
7	A'	1332	1272	55.94
8	A'	1105	1056	0.06
9	A'	1003	958	9.12
10	A'	605	578	10.83
11	A'	297	284	1.22
12	A"	3193	3050	15.34
13	A"	3159	3018	7.57
14	A"	1512	1444	7.30
15	A"	1295	1236	0.64
16	A"	1069	1021	0.57
17	A"	788	753	3.06
18	A"	279	266	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	-2.032	0.000
C2	0.601	-1.065	0.000
Br3	0.000	0.794	0.000
H4	1.221	-1.183	0.889
H5	1.221	-1.183	-0.889
H6	-0.199	-3.062	0.000
H7	-1.198	-1.889	0.887
H8	-1.198	-1.889	-0.887

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5219	2.8834	2.1765	2.1765	1.0968	1.0935	1.0935
C2	1.5219		1.9536	1.0906	1.0906	2.1510	2.1683	2.1683
Br3	2.8834	1.9536		2.4880	2.4880	3.8610	3.0690	3.0690
H4	2.1765	1.0906	2.4880		1.7776	2.5176	2.5207	3.0834
H5	2.1765	1.0906	2.4880	1.7776		2.5176	3.0834	2.5207
H6	1.0968	2.1510	3.8610	2.5176	2.5176		1.7782	1.7782
H7	1.0935	2.1683	3.0690	2.5207	3.0834	1.7782		1.7740
H8	1.0935	2.1683	3.0690	3.0834	2.5207	1.7782	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.521	C1	C2	H4	111.783
C1	C2	H5	111.783	C2	C1	H6	109.384
C2	C1	H7	110.938	C2	C1	H8	110.938
Br3	C2	H4	106.134	Br3	C2	H5	106.134
H4	C2	H5	109.173	H6	C1	H7	108.553
H6	C1	H8	108.553	H7	C1	H8	108.409

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

using model chemistry: CCD/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 C2H5Br (Ethyl bromide)

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

States and conformations

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