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	hartrees
Energy at 0K	-538.513908
Energy at 298.15K	-538.519454
HF Energy	-538.131325
Nuclear repulsion energy	102.980015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	2982	23.90
2	A'	3201	2957	13.88
3	A'	3149	2909	15.13
4	A'	1584	1463	2.83
5	A'	1577	1457	1.99
6	A'	1503	1389	7.28
7	A'	1413	1306	39.73
8	A'	1149	1061	1.21
9	A'	1045	965	16.81
10	A'	729	673	26.39
11	A'	349	323	2.42
12	A"	3266	3016	20.39
13	A"	3239	2992	4.25
14	A"	1569	1449	7.25
15	A"	1347	1244	0.50
16	A"	1152	1064	0.01
17	A"	826	763	2.93
18	A"	278	257	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.507	0.651	0.000
C2	0.000	0.808	0.000
H3	1.975	1.637	0.000
H4	1.842	0.109	0.884
H5	1.842	0.109	-0.884
Cl6	-0.824	-0.782	0.000
H7	-0.346	1.339	0.883
H8	-0.346	1.339	-0.883

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5151	1.0918	1.0892	1.0892	2.7360	2.1648	2.1648
C2	1.5151		2.1423	2.1589	2.1589	1.7903	1.0870	1.0870
H3	1.0918	2.1423		1.7702	1.7702	3.6996	2.5011	2.5011
H4	1.0892	2.1589	1.7702		1.7674	2.9464	2.5097	3.0691
H5	1.0892	2.1589	1.7702	1.7674		2.9464	3.0691	2.5097
Cl6	2.7360	1.7903	3.6996	2.9464	2.9464		2.3464	2.3464
H7	2.1648	1.0870	2.5011	2.5097	3.0691	2.3464		1.7657
H8	2.1648	1.0870	2.5011	3.0691	2.5097	2.3464	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.466	C1	C2	H7	111.538
C1	C2	H8	111.538	C2	C1	H3	109.454
C2	C1	H4	110.928	C2	C1	H5	110.928
H3	C1	H4	108.506	H3	C1	H5	108.506
H4	C1	H5	108.449	Cl6	C2	H7	106.712
Cl6	C2	H8	106.712	H7	C2	H8	108.625

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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