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	hartrees
Energy at 0K	-538.740147
Energy at 298.15K	-538.745632
HF Energy	-538.193419
Nuclear repulsion energy	103.309207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3018	15.03
2	A'	3128	2977	14.27
3	A'	3083	2934	13.22
4	A'	1515	1441	2.50
5	A'	1505	1432	1.22
6	A'	1419	1350	5.60
7	A'	1329	1265	30.57
8	A'	1104	1051	0.41
9	A'	1003	954	17.03
10	A'	709	675	20.90
11	A'	336	320	2.12
12	A"	3202	3046	13.83
13	A"	3179	3025	0.84
14	A"	1500	1428	8.46
15	A"	1290	1227	0.31
16	A"	1088	1036	0.01
17	A"	793	754	2.28
18	A"	272	259	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.501	0.642	0.000
C2	0.000	0.812	0.000
H3	1.976	1.623	0.000
H4	1.826	0.097	0.883
H5	1.826	0.097	-0.883
Cl6	-0.820	-0.777	0.000
H7	-0.347	1.335	0.885
H8	-0.347	1.335	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5104	1.0899	1.0870	1.0870	2.7199	2.1634	2.1634
C2	1.5104		2.1356	2.1502	2.1502	1.7878	1.0854	1.0854
H3	1.0899	2.1356		1.7691	1.7691	3.6841	2.5025	2.5025
H4	1.0870	2.1502	1.7691		1.7658	2.9227	2.5010	3.0628
H5	1.0870	2.1502	1.7691	1.7658		2.9227	3.0628	2.5010
Cl6	2.7199	1.7878	3.6841	2.9227	2.9227		2.3383	2.3383
H7	2.1634	1.0854	2.5025	2.5010	3.0628	2.3383		1.7702
H8	2.1634	1.0854	2.5025	3.0628	2.5010	2.3383	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.829	C1	C2	H7	111.861
C1	C2	H8	111.861	C2	C1	H3	109.357
C2	C1	H4	110.693	C2	C1	H5	110.693
H3	C1	H4	108.710	H3	C1	H5	108.710
H4	C1	H5	108.629	Cl6	C2	H7	106.366
Cl6	C2	H8	106.366	H7	C2	H8	109.267

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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