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	hartrees
Energy at 0K	-538.080179
Energy at 298.15K	-538.085706
Nuclear repulsion energy	100.882778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	2985	25.78
2	A'	3271	2954	10.10
3	A'	3198	2887	20.45
4	A'	1656	1495	5.51
5	A'	1647	1487	3.62
6	A'	1589	1435	7.42
7	A'	1448	1307	63.17
8	A'	1195	1079	3.66
9	A'	1071	967	22.85
10	A'	632	570	65.15
11	A'	348	315	5.13
12	A"	3381	3053	9.85
13	A"	3298	2978	14.39
14	A"	1641	1482	9.45
15	A"	1401	1265	0.94
16	A"	1179	1065	0.12
17	A"	874	789	3.97
18	A"	264	238	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.505	0.722	0.000
C2	0.000	0.859	0.000
H3	1.953	1.711	0.000
H4	1.851	0.193	0.877
H5	1.851	0.193	-0.877
Cl6	-0.819	-0.839	0.000
H7	-0.381	1.340	0.883
H8	-0.381	1.340	-0.883

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5116	1.0856	1.0814	1.0814	2.8003	2.1727	2.1727
C2	1.5116		2.1308	2.1543	2.1543	1.8853	1.0751	1.0751
H3	1.0856	2.1308		1.7565	1.7565	3.7668	2.5233	2.5233
H4	1.0814	2.1543	1.7565		1.7543	2.9943	2.5102	3.0656
H5	1.0814	2.1543	1.7565	1.7543		2.9943	3.0656	2.5102
Cl6	2.8003	1.8853	3.7668	2.9943	2.9943		2.3912	2.3912
H7	2.1727	1.0751	2.5233	2.5102	3.0656	2.3912		1.7654
H8	2.1727	1.0751	2.5233	3.0656	2.5102	2.3912	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.562	C1	C2	H7	113.193
C1	C2	H8	113.193	C2	C1	H3	109.157
C2	C1	H4	111.278	C2	C1	H5	111.278
H3	C1	H4	108.309	H3	C1	H5	108.309
H4	C1	H5	108.417	Cl6	C2	H7	104.393
Cl6	C2	H8	104.393	H7	C2	H8	110.385

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	C	-0.454	-0.151
2	C	-0.420	0.188
3	H	0.171	0.039
4	H	0.187	0.068
5	H	0.187	0.068
6	Cl	-0.114	-0.322
7	H	0.221	0.055
8	H	0.221	0.055

	x	y	z	Total
	1.579	2.683	0.000	3.113
CHELPG	1.549	2.702	0.000	3.115
AIM
ESP

	x	y	z
x	4.404	1.281	0.000
y	1.281	5.491	0.000
z	0.000	0.000	3.405

<r²>	81.927
(<r²>)^1/2	9.051

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

using model chemistry: HF/6-31G

States and conformations

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