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	hartrees
Energy at 0K	-736.682407
Energy at 298.15K	-736.686797
HF Energy	-735.880116
Nuclear repulsion energy	244.893494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3074	2.60
2	A'	3122	2967	1.57
3	A'	1481	1408	0.24
4	A'	1424	1354	56.69
5	A'	1271	1208	120.08
6	A'	1150	1093	197.86
7	A'	925	879	103.90
8	A'	690	655	52.70
9	A'	550	523	15.55
10	A'	441	419	0.91
11	A'	309	294	0.86
12	A"	3250	3089	1.25
13	A"	1482	1408	1.60
14	A"	1242	1181	188.24
15	A"	989	940	40.88
16	A"	434	413	0.03
17	A"	337	321	0.55
18	A"	262	249	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	-0.002	0.000
C2	-0.814	1.430	0.000
Cl3	1.437	-0.121	0.000
F4	-0.814	-0.657	1.088
F5	-0.814	-0.657	-1.088
H6	-1.913	1.434	0.000
H7	-0.441	1.940	0.898
H8	-0.441	1.940	-0.898

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5052	1.7903	1.3526	1.3526	2.1231	2.1407	2.1407
C2	1.5052		2.7332	2.3543	2.3543	1.0997	1.0972	1.0972
Cl3	1.7903	2.7332		2.5566	2.5566	3.6935	2.9287	2.9287
F4	1.3526	2.3543	2.5566		2.1762	2.6018	2.6306	3.2904
F5	1.3526	2.3543	2.5566	2.1762		2.6018	3.2904	2.6306
H6	2.1231	1.0997	3.6935	2.6018	2.6018		1.7968	1.7968
H7	2.1407	1.0972	2.9287	2.6306	3.2904	1.7968		1.7952
H8	2.1407	1.0972	2.9287	3.2904	2.6306	1.7968	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.173	C1	C2	H7	109.685
C1	C2	H8	109.685	C2	C1	Cl3	111.776
C2	C1	F4	110.823	C2	C1	F5	110.823
Cl3	C1	F4	108.064	Cl3	C1	F5	108.064
F4	C1	F5	107.115	H6	C2	H7	109.746
H6	C2	H8	109.746	H7	C2	H8	109.782

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

using model chemistry: MP2=FULL/cc-pVDZ

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: MP2=FULL/cc-pVDZ

States and conformations

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