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	hartrees
Energy at 0K	-737.912911
Energy at 298.15K	-737.917096
HF Energy	-737.912911
Nuclear repulsion energy	243.638855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3090	3050	6.10
2	A'	3008	2969	3.49
3	A'	1455	1436	0.49
4	A'	1384	1366	25.54
5	A'	1180	1165	123.80
6	A'	1096	1082	150.89
7	A'	857	846	135.19
8	A'	645	636	64.40
9	A'	527	520	11.93
10	A'	405	400	7.02
11	A'	296	292	1.19
12	A"	3108	3067	3.60
13	A"	1452	1433	3.54
14	A"	1146	1131	135.05
15	A"	928	916	83.81
16	A"	422	417	0.33
17	A"	322	318	0.29
18	A"	237	234	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	0.004	0.000
C2	-0.819	1.442	0.000
Cl3	1.447	-0.126	0.000
F4	-0.819	-0.660	1.091
F5	-0.819	-0.660	-1.091
H6	-1.912	1.454	0.000
H7	-0.444	1.947	0.891
H8	-0.444	1.947	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5101	1.8088	1.3580	1.3580	2.1264	2.1394	2.1394
C2	1.5101		2.7552	2.3681	2.3681	1.0935	1.0907	1.0907
Cl3	1.8088	2.7552		2.5708	2.5708	3.7123	2.9441	2.9441
F4	1.3580	2.3681	2.5708		2.1822	2.6184	2.6413	3.2963
F5	1.3580	2.3681	2.5708	2.1822		2.6184	3.2963	2.6413
H6	2.1264	1.0935	3.7123	2.6184	2.6184		1.7865	1.7865
H7	2.1394	1.0907	2.9441	2.6413	3.2963	1.7865		1.7822
H8	2.1394	1.0907	2.9441	3.2963	2.6413	1.7865	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.248	C1	C2	H7	109.981
C1	C2	H8	109.981	C2	C1	Cl3	111.629
C2	C1	F4	110.854	C2	C1	F5	110.854
Cl3	C1	F4	107.921	Cl3	C1	F5	107.921
F4	C1	F5	107.497	H6	C2	H7	109.554
H6	C2	H8	109.554	H7	C2	H8	109.503

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

using model chemistry: B97D3/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	0.676
2	C	-0.211
3	Cl	-0.207
4	F	-0.351
5	F	-0.351
6	H	0.137
7	H	0.153
8	H	0.153

	x	y	z	Total
	-0.763	2.087	0.000	2.222
CHELPG
AIM
ESP

	x	y	z
x	7.603	-0.394	0.000
y	-0.394	6.229	0.000
z	0.000	0.000	5.857

<r²>	131.650
(<r²>)^1/2	11.474

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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