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	hartrees
Energy at 0K	-737.964335
Energy at 298.15K	-737.968677
HF Energy	-737.964335
Nuclear repulsion energy	246.224535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3052	5.66
2	A'	3097	2968	2.43
3	A'	1496	1434	0.68
4	A'	1437	1378	50.47
5	A'	1262	1209	142.31
6	A'	1147	1099	200.95
7	A'	919	881	119.65
8	A'	682	654	70.68
9	A'	547	524	16.96
10	A'	433	415	2.34
11	A'	300	288	0.88
12	A"	3201	3069	3.95
13	A"	1496	1434	1.97
14	A"	1238	1187	193.98
15	A"	991	950	51.05
16	A"	430	412	0.00
17	A"	336	322	0.59
18	A"	260	249	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.352	0.002	0.000
C2	-0.810	1.426	0.000
Cl3	1.432	-0.127	0.000
F4	-0.810	-0.650	1.079
F5	-0.810	-0.650	-1.079
H6	-1.899	1.435	0.000
H7	-0.445	1.935	0.887
H8	-0.445	1.935	-0.887

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4958	1.7885	1.3418	1.3418	2.1090	2.1293	2.1293
C2	1.4958		2.7277	2.3399	2.3399	1.0892	1.0866	1.0866
Cl3	1.7885	2.7277		2.5429	2.5429	3.6795	2.9266	2.9266
F4	1.3418	2.3399	2.5429		2.1581	2.5880	2.6185	3.2691
F5	1.3418	2.3399	2.5429	2.1581		2.5880	3.2691	2.6185
H6	2.1090	1.0892	3.6795	2.5880	2.5880		1.7760	1.7760
H7	2.1293	1.0866	2.9266	2.6185	3.2691	1.7760		1.7748
H8	2.1293	1.0866	2.9266	3.2691	2.6185	1.7760	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.315	C1	C2	H7	110.074
C1	C2	H8	110.074	C2	C1	Cl3	112.001
C2	C1	F4	110.980	C2	C1	F5	110.980
Cl3	C1	F4	107.804	Cl3	C1	F5	107.804
F4	C1	F5	107.064	H6	C2	H7	109.421
H6	C2	H8	109.421	H7	C2	H8	109.513

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

using model chemistry: B1B95/6-311G*

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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Number	Element	Mulliken
1	C	0.356
2	C	-0.682
3	Cl	-0.068
4	F	-0.190
5	F	-0.190
6	H	0.254
7	H	0.260
8	H	0.260

	x	y	z	Total
	-0.845	2.148	0.000	2.308
CHELPG
AIM
ESP

	x	y	z
x	6.311	-0.426	0.000
y	-0.426	4.311	0.000
z	0.000	0.000	3.997

<r²>	129.336
(<r²>)^1/2	11.373

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

using model chemistry: B1B95/6-311G*

States and conformations

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