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	hartrees
Energy at 0K	-538.786740
Energy at 298.15K	-538.792221
HF Energy	-538.199137
Nuclear repulsion energy	102.845141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	2995	26.00
2	A'	3112	2973	10.67
3	A'	3059	2923	16.25
4	A'	1521	1453	2.17
5	A'	1513	1446	0.94
6	A'	1431	1368	4.53
7	A'	1338	1279	32.86
8	A'	1106	1057	0.43
9	A'	1004	960	15.96
10	A'	696	665	23.18
11	A'	335	320	2.14
12	A"	3174	3032	17.48
13	A"	3144	3004	4.83
14	A"	1506	1439	7.13
15	A"	1294	1236	0.26
16	A"	1093	1045	0.00
17	A"	795	760	1.96
18	A"	264	253	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.506	0.653	0.000
C2	0.000	0.814	0.000
H3	1.977	1.638	0.000
H4	1.837	0.110	0.884
H5	1.837	0.110	-0.884
Cl6	-0.823	-0.785	0.000
H7	-0.349	1.338	0.885
H8	-0.349	1.338	-0.885

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5147	1.0917	1.0888	1.0888	2.7369	2.1670	2.1670
C2	1.5147		2.1417	2.1568	2.1568	1.7983	1.0861	1.0861
H3	1.0917	2.1417		1.7706	1.7706	3.7024	2.5071	2.5071
H4	1.0888	2.1568	1.7706		1.7676	2.9421	2.5079	3.0688
H5	1.0888	2.1568	1.7706	1.7676		2.9421	3.0688	2.5079
Cl6	2.7369	1.7983	3.7024	2.9421	2.9421		2.3482	2.3482
H7	2.1670	1.0861	2.5071	2.5079	3.0688	2.3482		1.7697
H8	2.1670	1.0861	2.5071	3.0688	2.5079	2.3482	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.115	C1	C2	H7	111.799
C1	C2	H8	111.799	C2	C1	H3	109.444
C2	C1	H4	110.812	C2	C1	H5	110.812
H3	C1	H4	108.590	H3	C1	H5	108.590
H4	C1	H5	108.532	Cl6	C2	H7	106.363
Cl6	C2	H8	106.363	H7	C2	H8	109.113

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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