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	hartrees
Energy at 0K	-738.008550
Energy at 298.15K	-738.012870
HF Energy	-738.008550
Nuclear repulsion energy	246.592241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3041	3.87
2	A'	3089	2957	1.71
3	A'	1479	1416	0.27
4	A'	1418	1357	47.07
5	A'	1255	1201	124.83
6	A'	1135	1086	187.93
7	A'	916	877	99.93
8	A'	683	653	60.24
9	A'	546	523	14.47
10	A'	432	413	1.90
11	A'	298	285	1.22
12	A"	3195	3058	1.93
13	A"	1477	1414	2.15
14	A"	1226	1173	177.80
15	A"	984	942	43.51
16	A"	428	410	0.02
17	A"	331	317	0.50
18	A"	240	230	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.351	0.002	0.000
C2	-0.809	1.426	0.000
Cl3	1.429	-0.126	0.000
F4	-0.809	-0.652	1.077
F5	-0.809	-0.652	-1.077
H6	-1.896	1.435	0.000
H7	-0.438	1.929	0.886
H8	-0.438	1.929	-0.886

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4957	1.7851	1.3401	1.3401	2.1067	2.1224	2.1224
C2	1.4957		2.7236	2.3404	2.3404	1.0871	1.0843	1.0843
Cl3	1.7851	2.7236		2.5384	2.5384	3.6732	2.9144	2.9144
F4	1.3401	2.3404	2.5384		2.1531	2.5875	2.6140	3.2634
F5	1.3401	2.3404	2.5384	2.1531		2.5875	3.2634	2.6140
H6	2.1067	1.0871	3.6732	2.5875	2.5875		1.7762	1.7762
H7	2.1224	1.0843	2.9144	2.6140	3.2634	1.7762		1.7726
H8	2.1224	1.0843	2.9144	3.2634	2.6140	1.7762	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.269	C1	C2	H7	109.672
C1	C2	H8	109.672	C2	C1	Cl3	111.930
C2	C1	F4	111.117	C2	C1	F5	111.117
Cl3	C1	F4	107.780	Cl3	C1	F5	107.780
F4	C1	F5	106.895	H6	C2	H7	109.775
H6	C2	H8	109.775	H7	C2	H8	109.658

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

using model chemistry: B1B95/cc-pVTZ

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	0.372
2	C	-0.341
3	Cl	-0.135
4	F	-0.153
5	F	-0.153
6	H	0.133
7	H	0.138
8	H	0.138

	x	y	z	Total
	-0.745	2.037	0.000	2.169
CHELPG
AIM
ESP

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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