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	hartrees
Energy at 0K	-727.227357
Energy at 298.15K	-727.231456
HF Energy	-727.227357
Nuclear repulsion energy	239.861551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3764	3073	3.24
2	A'	3580	2923	2.46
3	A'	1783	1456	1.15
4	A'	1692	1381	4.82
5	A'	1462	1194	96.46
6	A'	1305	1065	128.37
7	A'	1059	865	57.50
8	A'	755	617	46.03
9	A'	537	439	20.94
10	A'	455	371	0.83
11	A'	309	252	1.38
12	A"	3777	3084	3.70
13	A"	1786	1458	0.67
14	A"	1554	1269	87.38
15	A"	1161	948	1.30
16	A"	435	355	2.92
17	A"	331	270	2.10
18	A"	196	160	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.383	-0.021	0.000
C2	-0.830	1.470	0.000
Cl3	1.471	-0.104	0.000
F4	-0.830	-0.686	1.105
F5	-0.830	-0.686	-1.105
H6	-1.916	1.510	0.000
H7	-0.446	1.963	0.887
H8	-0.446	1.963	-0.887

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5567	1.8557	1.3651	1.3651	2.1668	2.1748	2.1748
C2	1.5567		2.7879	2.4230	2.4230	1.0870	1.0853	1.0853
Cl3	1.8557	2.7879		2.6181	2.6181	3.7521	2.9563	2.9563
F4	1.3651	2.4230	2.6181		2.2101	2.6878	2.6861	3.3373
F5	1.3651	2.4230	2.6181	2.2101		2.6878	3.3373	2.6861
H6	2.1668	1.0870	3.7521	2.6878	2.6878		1.7755	1.7755
H7	2.1748	1.0853	2.9563	2.6861	3.3373	1.7755		1.7748
H8	2.1748	1.0853	2.9563	3.3373	2.6861	1.7755	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.791	C1	C2	H7	109.515
C1	C2	H8	109.515	C2	C1	Cl3	109.251
C2	C1	F4	111.882	C2	C1	F5	111.882
Cl3	C1	F4	107.782	Cl3	C1	F5	107.782
F4	C1	F5	108.095	H6	C2	H7	109.647
H6	C2	H8	109.647	H7	C2	H8	109.709

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

using model chemistry: HF/STO-3G

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	0.364
2	C	-0.198
3	Cl	-0.203
4	F	-0.122
5	F	-0.122
6	H	0.090
7	H	0.096
8	H	0.096

	x	y	z	Total
	-2.008	1.569	0.000	2.548
CHELPG
AIM
ESP

	x	y	z
x	3.518	-0.127	0.000
y	-0.127	1.790	0.000
z	0.000	0.000	1.846

<r²>	133.769
(<r²>)^1/2	11.566

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

using model chemistry: HF/STO-3G

States and conformations

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