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	hartrees
Energy at 0K	-535.935215
Energy at 298.15K	-535.940720
HF Energy	-535.616956
Nuclear repulsion energy	101.740996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3014	17.38
2	A'	3145	2991	7.04
3	A'	3092	2941	9.93
4	A'	1602	1524	4.12
5	A'	1585	1507	3.95
6	A'	1502	1428	6.80
7	A'	1390	1322	31.55
8	A'	1127	1072	4.79
9	A'	987	939	13.76
10	A'	659	627	25.72
11	A'	344	328	2.70
12	A"	3211	3055	12.73
13	A"	3182	3027	3.86
14	A"	1590	1512	7.81
15	A"	1350	1284	0.56
16	A"	1141	1085	0.05
17	A"	833	792	4.60
18	A"	277	264	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.526	0.653	0.000
C2	0.000	0.831	0.000
H3	2.007	1.639	0.000
H4	1.844	0.103	0.889
H5	1.844	0.103	-0.889
Cl6	-0.833	-0.792	0.000
H7	-0.344	1.356	0.892
H8	-0.344	1.356	-0.892

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5364	1.0965	1.0931	1.0931	2.7667	2.1878	2.1878
C2	1.5364		2.1633	2.1730	2.1730	1.8245	1.0902	1.0902
H3	1.0965	2.1633		1.7823	1.7823	3.7382	2.5304	2.5304
H4	1.0931	2.1730	1.7823		1.7783	2.9594	2.5215	3.0870
H5	1.0931	2.1730	1.7823	1.7783		2.9594	3.0870	2.5215
Cl6	2.7667	1.8245	3.7382	2.9594	2.9594		2.3762	2.3762
H7	2.1878	1.0902	2.5304	2.5215	3.0870	2.3762		1.7834
H8	2.1878	1.0902	2.5304	3.0870	2.5215	2.3762	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.517	C1	C2	H7	111.670
C1	C2	H8	111.670	C2	C1	H3	109.357
C2	C1	H4	110.322	C2	C1	H5	110.322
H3	C1	H4	108.973	H3	C1	H5	108.973
H4	C1	H5	108.863	Cl6	C2	H7	106.485
Cl6	C2	H8	106.485	H7	C2	H8	109.757

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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