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	hartrees
Energy at 0K	-536.715786
Energy at 298.15K	-536.721102
Nuclear repulsion energy	98.893865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	3041	20.43
2	A'	3038	3021	3.14
3	A'	2969	2953	11.11
4	A'	1531	1522	4.70
5	A'	1502	1494	2.16
6	A'	1429	1421	7.33
7	A'	1274	1267	43.19
8	A'	1064	1059	3.35
9	A'	947	942	24.05
10	A'	566	563	32.92
11	A'	309	307	5.02
12	A"	3125	3107	11.92
13	A"	3067	3050	7.31
14	A"	1513	1504	8.28
15	A"	1266	1259	1.19
16	A"	1033	1027	0.40
17	A"	791	786	5.72
18	A"	250	248	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.522	0.739	0.000
C2	0.000	0.895	0.000
H3	1.986	1.743	0.000
H4	1.859	0.197	0.896
H5	1.859	0.197	-0.896
Cl6	-0.826	-0.864	0.000
H7	-0.393	1.372	0.905
H8	-0.393	1.372	-0.905

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5297	1.1062	1.1001	1.1001	2.8433	2.2099	2.2099
C2	1.5297		2.1596	2.1781	2.1781	1.9435	1.0955	1.0955
H3	1.1062	2.1596		1.7920	1.7920	3.8351	2.5718	2.5718
H4	1.1001	2.1781	1.7920		1.7912	3.0225	2.5397	3.1130
H5	1.1001	2.1781	1.7920	1.7912		3.0225	3.1130	2.5397
Cl6	2.8433	1.9435	3.8351	3.0225	3.0225		2.4509	2.4509
H7	2.2099	1.0955	2.5718	2.5397	3.1130	2.4509		1.8093
H8	2.2099	1.0955	2.5718	3.1130	2.5397	2.4509	1.8093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	109.321	C1	C2	H7	113.632
C1	C2	H8	113.632	C2	C1	H3	108.975
C2	C1	H4	110.781	C2	C1	H5	110.781
H3	C1	H4	108.626	H3	C1	H5	108.626
H4	C1	H5	108.999	Cl6	C2	H7	103.993
Cl6	C2	H8	103.993	H7	C2	H8	111.331

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

using model chemistry: BLYP/3-21G

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	-0.522
2	C	-0.475
3	H	0.195
4	H	0.209
5	H	0.209
6	Cl	-0.091
7	H	0.238
8	H	0.238

	x	y	z	Total
	1.434	2.351	0.000	2.754
CHELPG
AIM
ESP

<r²>	84.028
(<r²>)^1/2	9.167

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

using model chemistry: BLYP/3-21G

States and conformations

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