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	hartrees
Energy at 0K	-734.162882
Energy at 298.15K	-734.167151
HF Energy	-734.162882
Nuclear repulsion energy	243.213073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	2993	0.26
2	A'	3080	2917	0.43
3	A'	1540	1459	1.59
4	A'	1481	1403	36.09
5	A'	1278	1211	146.07
6	A'	1176	1114	159.20
7	A'	930	881	102.80
8	A'	655	620	75.81
9	A'	520	492	20.29
10	A'	419	397	1.17
11	A'	306	290	0.74
12	A"	3185	3017	0.00
13	A"	1545	1464	3.83
14	A"	1316	1247	143.05
15	A"	1043	988	18.95
16	A"	400	379	0.58
17	A"	323	306	1.04
18	A"	250	237	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.351	-0.002	0.000
C2	-0.816	1.428	0.000
Cl3	1.440	-0.112	0.000
F4	-0.816	-0.664	1.112
F5	-0.816	-0.664	-1.112
H6	-1.908	1.433	0.000
H7	-0.448	1.933	0.893
H8	-0.448	1.933	-0.893

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5036	1.7943	1.3750	1.3750	2.1181	2.1327	2.1327
C2	1.5036		2.7315	2.3691	2.3691	1.0926	1.0893	1.0893
Cl3	1.7943	2.7315		2.5749	2.5749	3.6880	2.9229	2.9229
F4	1.3750	2.3691	2.5749		2.2234	2.6133	2.6317	3.3008
F5	1.3750	2.3691	2.5749	2.2234		2.6133	3.3008	2.6317
H6	2.1181	1.0926	3.6880	2.6133	2.6133		1.7826	1.7826
H7	2.1327	1.0893	2.9229	2.6317	3.3008	1.7826		1.7853
H8	2.1327	1.0893	2.9229	3.3008	2.6317	1.7826	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.304	C1	C2	H7	109.645
C1	C2	H8	109.645	C2	C1	Cl3	111.538
C2	C1	F4	110.695	C2	C1	F5	110.695
Cl3	C1	F4	107.940	Cl3	C1	F5	107.940
F4	C1	F5	107.895	H6	C2	H7	109.575
H6	C2	H8	109.575	H7	C2	H8	110.070

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

using model chemistry: M06-2X/3-21G*

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	0.465
2	C	-0.627
3	Cl	-0.003
4	F	-0.288
5	F	-0.288
6	H	0.251
7	H	0.245
8	H	0.245

	x	y	z	Total
	-0.741	2.259	0.000	2.377
CHELPG
AIM
ESP

	x	y	z
x	5.555	-0.321	0.000
y	-0.321	3.633	0.000
z	0.000	0.000	3.623

<r²>	131.589
(<r²>)^1/2	11.471

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

using model chemistry: M06-2X/3-21G*

States and conformations

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