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	hartrees
Energy at 0K	-538.701972
Energy at 298.15K	-538.707454
HF Energy	-538.147353
Nuclear repulsion energy	102.705709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3004	16.85
2	A'	3138	2973	11.13
3	A'	3090	2927	12.52
4	A'	1532	1451	1.87
5	A'	1522	1442	1.21
6	A'	1443	1367	4.15
7	A'	1347	1276	36.07
8	A'	1108	1050	0.70
9	A'	1008	955	16.79
10	A'	703	666	23.52
11	A'	336	319	2.19
12	A"	3206	3037	13.72
13	A"	3181	3014	2.29
14	A"	1517	1438	6.11
15	A"	1296	1228	0.34
16	A"	1099	1041	0.00
17	A"	797	755	2.55
18	A"	267	253	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.510	0.650	0.000
C2	0.000	0.815	0.000
H3	1.983	1.637	0.000
H4	1.842	0.106	0.886
H5	1.842	0.106	-0.886
Cl6	-0.825	-0.783	0.000
H7	-0.351	1.341	0.887
H8	-0.351	1.341	-0.887

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5194	1.0940	1.0913	1.0913	2.7404	2.1743	2.1743
C2	1.5194		2.1466	2.1636	2.1636	1.7985	1.0893	1.0893
H3	1.0940	2.1466		1.7744	1.7744	3.7071	2.5140	2.5140
H4	1.0913	2.1636	1.7744		1.7718	2.9480	2.5167	3.0785
H5	1.0913	2.1636	1.7744	1.7718		2.9480	3.0785	2.5167
Cl6	2.7404	1.7985	3.7071	2.9480	2.9480		2.3502	2.3502
H7	2.1743	1.0893	2.5140	2.5167	3.0785	2.3502		1.7742
H8	2.1743	1.0893	2.5140	3.0785	2.5167	2.3502	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.088	C1	C2	H7	111.859
C1	C2	H8	111.859	C2	C1	H3	109.361
C2	C1	H4	110.875	C2	C1	H5	110.875
H3	C1	H4	108.568	H3	C1	H5	108.568
H4	C1	H5	108.532	Cl6	C2	H7	106.342
Cl6	C2	H8	106.342	H7	C2	H8	109.052

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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