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	hartrees
Energy at 0K	-736.489533
Energy at 298.15K	-736.494050
HF Energy	-735.843423
Nuclear repulsion energy	246.837627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3038	4.25
2	A'	3198	2954	1.64
3	A'	1575	1455	0.62
4	A'	1528	1412	42.79
5	A'	1340	1237	136.52
6	A'	1231	1137	198.61
7	A'	987	911	102.81
8	A'	725	670	50.18
9	A'	564	521	17.02
10	A'	461	426	0.42
11	A'	321	297	1.10
12	A"	3304	3052	3.16
13	A"	1575	1455	1.78
14	A"	1334	1232	183.03
15	A"	1061	980	40.04
16	A"	450	416	0.05
17	A"	355	328	0.67
18	A"	277	256	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.339	0.005	0.000
C2	-0.808	1.429	0.000
Cl3	1.425	-0.135	0.000
F4	-0.808	-0.644	1.079
F5	-0.808	-0.644	-1.079
H6	-1.895	1.421	0.000
H7	-0.448	1.938	0.888
H8	-0.448	1.938	-0.888

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4991	1.7694	1.3438	1.3438	2.1036	2.1300	2.1300
C2	1.4991		2.7257	2.3372	2.3372	1.0870	1.0849	1.0849
Cl3	1.7694	2.7257		2.5316	2.5316	3.6660	2.9309	2.9309
F4	1.3438	2.3372	2.5316		2.1584	2.5711	2.6145	3.2660
F5	1.3438	2.3372	2.5316	2.1584		2.5711	3.2660	2.6145
H6	2.1036	1.0870	3.6660	2.5711	2.5711		1.7749	1.7749
H7	2.1300	1.0849	2.9309	2.6145	3.2660	1.7749		1.7751
H8	2.1300	1.0849	2.9309	3.2660	2.6145	1.7749	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.796	C1	C2	H7	110.004
C1	C2	H8	110.004	C2	C1	Cl3	112.750
C2	C1	F4	110.473	C2	C1	F5	110.473
Cl3	C1	F4	108.035	Cl3	C1	F5	108.035
F4	C1	F5	106.854	H6	C2	H7	109.609
H6	C2	H8	109.609	H7	C2	H8	109.789

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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