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	hartrees
Energy at 0K	-538.584398
Energy at 298.15K	-538.589940
HF Energy	-538.139169
Nuclear repulsion energy	103.204594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3026	16.52
2	A'	3182	2973	18.04
3	A'	3142	2936	12.99
4	A'	1564	1462	1.95
5	A'	1552	1450	1.84
6	A'	1471	1375	5.56
7	A'	1388	1297	38.98
8	A'	1132	1058	0.70
9	A'	1031	963	15.66
10	A'	726	679	20.99
11	A'	344	321	2.20
12	A"	3263	3049	21.69
13	A"	3243	3030	0.01
14	A"	1548	1447	6.18
15	A"	1329	1242	0.47
16	A"	1132	1058	0.02
17	A"	812	759	2.53
18	A"	286	267	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.504	0.649	0.000
C2	0.000	0.806	0.000
H3	1.972	1.632	0.000
H4	1.836	0.107	0.882
H5	1.836	0.107	-0.882
Cl6	-0.822	-0.780	0.000
H7	-0.343	1.339	0.882
H8	-0.343	1.339	-0.882

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5121	1.0887	1.0864	1.0864	2.7297	2.1598	2.1598
C2	1.5121		2.1377	2.1528	2.1528	1.7863	1.0858	1.0858
H3	1.0887	2.1377		1.7661	1.7661	3.6907	2.4941	2.4941
H4	1.0864	2.1528	1.7661		1.7633	2.9374	2.5025	3.0613
H5	1.0864	2.1528	1.7661	1.7633		2.9374	3.0613	2.5025
Cl6	2.7297	1.7863	3.6907	2.9374	2.9374		2.3444	2.3444
H7	2.1598	1.0858	2.4941	2.5025	3.0613	2.3444		1.7633
H8	2.1598	1.0858	2.4941	3.0613	2.5025	2.3444	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.433	C1	C2	H7	111.421
C1	C2	H8	111.421	C2	C1	H3	109.478
C2	C1	H4	110.826	C2	C1	H5	110.826
H3	C1	H4	108.577	H3	C1	H5	108.577
H4	C1	H5	108.495	Cl6	C2	H7	106.881
Cl6	C2	H8	106.881	H7	C2	H8	108.579

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

using model chemistry: MP2=FULL/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 CH3CH2Cl (Ethyl chloride)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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