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	hartrees
Energy at 0K	-538.191195
Energy at 298.15K	-538.196779
Nuclear repulsion energy	103.065557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	2941	47.65
2	A'	3221	2927	2.57
3	A'	3163	2874	23.43
4	A'	1619	1471	2.61
5	A'	1615	1467	1.17
6	A'	1539	1399	4.11
7	A'	1436	1304	44.04
8	A'	1168	1061	1.35
9	A'	1047	951	19.16
10	A'	711	646	42.92
11	A'	356	324	2.92
12	A"	3291	2990	17.53
13	A"	3242	2946	13.75
14	A"	1603	1456	7.95
15	A"	1380	1254	0.08
16	A"	1170	1063	0.00
17	A"	844	767	1.86
18	A"	278	253	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.506	0.658	0.000
C2	0.000	0.810	0.000
H3	1.964	1.642	0.000
H4	1.842	0.123	0.878
H5	1.842	0.123	-0.878
Cl6	-0.822	-0.785	0.000
H7	-0.351	1.327	0.878
H8	-0.351	1.327	-0.878

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5134	1.0850	1.0817	1.0817	2.7396	2.1601	2.1601
C2	1.5134		2.1330	2.1528	2.1528	1.7950	1.0776	1.0776
H3	1.0850	2.1330		1.7583	1.7583	3.6955	2.4961	2.4961
H4	1.0817	2.1528	1.7583		1.7562	2.9487	2.5015	3.0563
H5	1.0817	2.1528	1.7583	1.7562		2.9487	3.0563	2.5015
Cl6	2.7396	1.7950	3.6955	2.9487	2.9487		2.3356	2.3356
H7	2.1601	1.0776	2.4961	2.5015	3.0563	2.3356		1.7557
H8	2.1601	1.0776	2.4961	3.0563	2.5015	2.3356	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.520	C1	C2	H7	111.859
C1	C2	H8	111.859	C2	C1	H3	109.240
C2	C1	H4	111.009	C2	C1	H5	111.009
H3	C1	H4	108.488	H3	C1	H5	108.488
H4	C1	H5	108.538	Cl6	C2	H7	106.087
Cl6	C2	H8	106.087	H7	C2	H8	109.103

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

using model chemistry: HF/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	-0.115
2	C	-0.336
3	H	0.132
4	H	0.145
5	H	0.145
6	Cl	-0.289
7	H	0.159
8	H	0.159

	x	y	z	Total
	1.244	1.970	0.000	2.330
CHELPG
AIM
ESP

	x	y	z
x	6.075	0.827	0.000
y	0.827	6.188	0.000
z	0.000	0.000	4.992

<r²>	78.925
(<r²>)^1/2	8.884

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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