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	hartrees
Energy at 0K	-536.894708
Energy at 298.15K	-536.900161
Nuclear repulsion energy	102.229007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3009	16.81
2	A'	3124	2983	7.28
3	A'	3075	2936	10.41
4	A'	1560	1490	5.98
5	A'	1539	1469	5.46
6	A'	1462	1396	12.11
7	A'	1347	1286	28.35
8	A'	1106	1057	5.51
9	A'	993	948	20.48
10	A'	654	625	28.84
11	A'	338	322	3.13
12	A"	3194	3049	12.18
13	A"	3162	3019	2.61
14	A"	1547	1477	11.61
15	A"	1314	1255	0.92
16	A"	1106	1056	0.19
17	A"	815	778	7.36
18	A"	260	249	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.512	0.654	0.000
C2	0.000	0.829	0.000
H3	1.994	1.637	0.000
H4	1.834	0.105	0.887
H5	1.834	0.105	-0.887
Cl6	-0.826	-0.791	0.000
H7	-0.349	1.351	0.890
H8	-0.349	1.351	-0.890

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5219	1.0951	1.0919	1.0919	2.7476	2.1774	2.1774
C2	1.5219		2.1517	2.1621	2.1621	1.8180	1.0896	1.0896
H3	1.0951	2.1517		1.7775	1.7775	3.7208	2.5229	2.5229
H4	1.0919	2.1621	1.7775		1.7746	2.9432	2.5135	3.0786
H5	1.0919	2.1621	1.7775	1.7746		2.9432	3.0786	2.5135
Cl6	2.7476	1.8180	3.7208	2.9432	2.9432		2.3680	2.3680
H7	2.1774	1.0896	2.5229	2.5135	3.0786	2.3680		1.7808
H8	2.1774	1.0896	2.5229	3.0786	2.5135	2.3680	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.393	C1	C2	H7	111.917
C1	C2	H8	111.917	C2	C1	H3	109.533
C2	C1	H4	110.549	C2	C1	H5	110.549
H3	C1	H4	108.730	H3	C1	H5	108.730
H4	C1	H5	108.704	Cl6	C2	H7	106.352
Cl6	C2	H8	106.352	H7	C2	H8	109.616

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

using model chemistry: B1B95/3-21G*

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	-0.613
2	C	-0.528
3	H	0.221
4	H	0.234
5	H	0.234
6	Cl	-0.071
7	H	0.262
8	H	0.262

	x	y	z	Total
	1.230	1.926	0.000	2.285
CHELPG
AIM
ESP

	x	y	z
x	4.586	0.979	0.000
y	0.979	5.037	0.000
z	0.000	0.000	3.589

<r²>	79.371
(<r²>)^1/2	8.909

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

using model chemistry: B1B95/3-21G*

States and conformations

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