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	hartrees
Energy at 0K	-538.624421
Energy at 298.15K	-538.629948
HF Energy	-538.140466
Nuclear repulsion energy	102.963111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3001	24.19
2	A'	3188	2970	15.51
3	A'	3136	2922	17.16
4	A'	1554	1448	2.21
5	A'	1546	1440	2.03
6	A'	1478	1376	6.98
7	A'	1393	1297	42.96
8	A'	1130	1053	0.40
9	A'	1028	958	14.76
10	A'	717	668	23.32
11	A'	344	320	2.07
12	A"	3257	3034	20.05
13	A"	3232	3011	4.35
14	A"	1539	1433	7.53
15	A"	1320	1230	0.52
16	A"	1129	1052	0.11
17	A"	813	757	1.65
18	A"	276	257	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.506	0.654	0.000
C2	0.000	0.811	0.000
H3	1.971	1.639	0.000
H4	1.839	0.114	0.882
H5	1.839	0.114	-0.882
Cl6	-0.823	-0.784	0.000
H7	-0.344	1.339	0.883
H8	-0.344	1.339	-0.883

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5142	1.0893	1.0867	1.0867	2.7374	2.1612	2.1612
C2	1.5142		2.1378	2.1556	2.1556	1.7951	1.0846	1.0846
H3	1.0893	2.1378		1.7668	1.7668	3.6985	2.4956	2.4956
H4	1.0867	2.1556	1.7668		1.7647	2.9449	2.5030	3.0629
H5	1.0867	2.1556	1.7668	1.7647		2.9449	3.0629	2.5030
Cl6	2.7374	1.7951	3.6985	2.9449	2.9449		2.3486	2.3486
H7	2.1612	1.0846	2.4956	2.5030	3.0629	2.3486		1.7660
H8	2.1612	1.0846	2.4956	3.0629	2.5030	2.3486	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.338	C1	C2	H7	111.460
C1	C2	H8	111.460	C2	C1	H3	109.306
C2	C1	H4	110.877	C2	C1	H5	110.877
H3	C1	H4	108.575	H3	C1	H5	108.575
H4	C1	H5	108.571	Cl6	C2	H7	106.674
Cl6	C2	H8	106.674	H7	C2	H8	109.001

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)

using model chemistry: MP3=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 CH3CH2Cl (Ethyl chloride)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)