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	hartrees
Energy at 0K	-732.766645
Energy at 298.15K	-732.771017
HF Energy	-732.260756
Nuclear repulsion energy	243.208216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3030	2.30
2	A'	3167	2959	0.83
3	A'	1597	1492	1.76
4	A'	1542	1441	25.60
5	A'	1297	1212	152.84
6	A'	1214	1135	131.21
7	A'	943	881	122.74
8	A'	665	622	70.75
9	A'	529	495	21.14
10	A'	427	399	0.91
11	A'	318	297	0.79
12	A"	3264	3050	1.36
13	A"	1603	1497	3.99
14	A"	1344	1256	130.72
15	A"	1078	1007	29.32
16	A"	417	389	0.78
17	A"	334	312	0.99
18	A"	267	249	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.346	0.001	0.000
C2	-0.816	1.433	0.000
Cl3	1.440	-0.118	0.000
F4	-0.816	-0.661	1.112
F5	-0.816	-0.661	-1.112
H6	-1.906	1.434	0.000
H7	-0.452	1.938	0.890
H8	-0.452	1.938	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5072	1.7895	1.3767	1.3767	2.1180	2.1344	2.1344
C2	1.5072		2.7376	2.3707	2.3707	1.0896	1.0861	1.0861
Cl3	1.7895	2.7376		2.5727	2.5727	3.6878	2.9323	2.9323
F4	1.3767	2.3707	2.5727		2.2238	2.6099	2.6336	3.3006
F5	1.3767	2.3707	2.5727	2.2238		2.6099	3.3006	2.6336
H6	2.1180	1.0896	3.6878	2.6099	2.6099		1.7775	1.7775
H7	2.1344	1.0861	2.9323	2.6336	3.3006	1.7775		1.7799
H8	2.1344	1.0861	2.9323	3.3006	2.6336	1.7775	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.224	C1	C2	H7	109.709
C1	C2	H8	109.709	C2	C1	Cl3	111.995
C2	C1	F4	110.501	C2	C1	F5	110.501
Cl3	C1	F4	107.982	Cl3	C1	F5	107.982
F4	C1	F5	107.732	H6	C2	H7	109.562
H6	C2	H8	109.562	H7	C2	H8	110.048

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: CISD/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 CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)