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	hartrees
Energy at 0K	-736.884393
Energy at 298.15K	-736.888851
HF Energy	-735.938658
Nuclear repulsion energy	246.046160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3046	3.31
2	A'	3115	2950	1.27
3	A'	1520	1440	1.08
4	A'	1465	1388	51.42
5	A'	1277	1209	126.66
6	A'	1182	1120	202.64
7	A'	939	889	118.53
8	A'	704	666	51.33
9	A'	555	525	15.06
10	A'	449	425	0.78
11	A'	315	298	0.96
12	A"	3230	3059	1.98
13	A"	1519	1438	3.15
14	A"	1252	1186	174.49
15	A"	1005	952	53.93
16	A"	444	421	0.01
17	A"	348	329	0.55
18	A"	281	266	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.343	-0.000	0.000
C2	-0.810	1.425	0.000
Cl3	1.429	-0.122	0.000
F4	-0.810	-0.654	1.084
F5	-0.810	-0.654	-1.084
H6	-1.901	1.426	0.000
H7	-0.444	1.935	0.889
H8	-0.444	1.935	-0.889

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4997	1.7765	1.3490	1.3490	2.1121	2.1320	2.1320
C2	1.4997		2.7213	2.3442	2.3442	1.0907	1.0885	1.0885
Cl3	1.7765	2.7213		2.5438	2.5438	3.6720	2.9203	2.9203
F4	1.3490	2.3442	2.5438		2.1682	2.5868	2.6213	3.2753
F5	1.3490	2.3442	2.5438	2.1682		2.5868	3.2753	2.6213
H6	2.1121	1.0907	3.6720	2.5868	2.5868		1.7808	1.7808
H7	2.1320	1.0885	2.9203	2.6213	3.2753	1.7808		1.7788
H8	2.1320	1.0885	2.9203	3.2753	2.6213	1.7808	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.209	C1	C2	H7	109.907
C1	C2	H8	109.907	C2	C1	Cl3	112.048
C2	C1	F4	110.648	C2	C1	F5	110.648
Cl3	C1	F4	108.177	Cl3	C1	F5	108.177
F4	C1	F5	106.959	H6	C2	H7	109.604
H6	C2	H8	109.604	H7	C2	H8	109.590

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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