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	hartrees
Energy at 0K	-737.662739
Energy at 298.15K	-737.666940
HF Energy	-737.662739
Nuclear repulsion energy	239.500900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3056	1.87
2	A'	3096	2965	0.74
3	A'	1522	1457	3.84
4	A'	1474	1412	35.39
5	A'	1257	1204	132.45
6	A'	1167	1118	169.84
7	A'	891	853	123.97
8	A'	636	610	80.85
9	A'	505	484	19.66
10	A'	403	386	2.80
11	A'	292	280	1.23
12	A"	3212	3076	1.11
13	A"	1520	1455	6.16
14	A"	1245	1193	149.31
15	A"	990	949	55.14
16	A"	413	395	0.07
17	A"	315	302	1.17
18	A"	257	246	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.374	0.016	0.000
C2	-0.836	1.437	0.000
Cl3	1.482	-0.122	0.000
F4	-0.836	-0.667	1.118
F5	-0.836	-0.667	-1.118
H6	-1.930	1.448	0.000
H7	-0.472	1.952	0.890
H8	-0.472	1.952	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4947	1.8604	1.3897	1.3897	2.1150	2.1328	2.1328
C2	1.4947		2.7933	2.3831	2.3831	1.0937	1.0905	1.0905
Cl3	1.8604	2.7933		2.6307	2.6307	3.7554	2.9844	2.9844
F4	1.3897	2.3831	2.6307		2.2370	2.6310	2.6538	3.3202
F5	1.3897	2.3831	2.6307	2.2370		2.6310	3.3202	2.6538
H6	2.1150	1.0937	3.7554	2.6310	2.6310		1.7806	1.7806
H7	2.1328	1.0905	2.9844	2.6538	3.3202	1.7806		1.7798
H8	2.1328	1.0905	2.9844	3.3202	2.6538	1.7806	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.605	C1	C2	H7	110.194
C1	C2	H8	110.194	C2	C1	Cl3	112.265
C2	C1	F4	111.367	C2	C1	F5	111.367
Cl3	C1	F4	107.191	Cl3	C1	F5	107.191
F4	C1	F5	107.185	H6	C2	H7	109.224
H6	C2	H8	109.224	H7	C2	H8	109.378

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

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	C	0.330
2	C	-0.497
3	Cl	0.058
4	F	-0.271
5	F	-0.271
6	H	0.219
7	H	0.216
8	H	0.216

	x	y	z	Total
	-1.012	2.602	0.000	2.792
CHELPG
AIM
ESP

	x	y	z
x	6.123	-0.336	0.000
y	-0.336	3.760	0.000
z	0.000	0.000	3.755

<r²>	135.444
(<r²>)^1/2	11.638

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

using model chemistry: B3PW91/6-31G

States and conformations

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