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	hartrees
Energy at 0K	-737.747135
Energy at 298.15K	-737.751441
HF Energy	-737.747135
Nuclear repulsion energy	244.845714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3043	4.20
2	A'	3093	2959	2.08
3	A'	1505	1440	0.72
4	A'	1443	1381	40.69
5	A'	1266	1211	140.79
6	A'	1149	1099	182.49
7	A'	920	880	107.57
8	A'	676	646	67.12
9	A'	540	517	14.96
10	A'	426	407	3.32
11	A'	301	288	0.89
12	A"	3200	3061	2.77
13	A"	1505	1440	1.63
14	A"	1260	1205	182.38
15	A"	1001	957	38.67
16	A"	427	409	0.00
17	A"	331	317	0.72
18	A"	261	249	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	0.000	0.000
C2	-0.815	1.434	0.000
Cl3	1.441	-0.129	0.000
F4	-0.815	-0.652	1.086
F5	-0.815	-0.652	-1.086
H6	-1.909	1.442	0.000
H7	-0.448	1.945	0.892
H8	-0.448	1.945	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5049	1.8026	1.3470	1.3470	2.1190	2.1415	2.1415
C2	1.5049		2.7449	2.3512	2.3512	1.0942	1.0915	1.0915
Cl3	1.8026	2.7449		2.5579	2.5579	3.7009	2.9444	2.9444
F4	1.3470	2.3512	2.5579		2.1714	2.6003	2.6300	3.2847
F5	1.3470	2.3512	2.5579	2.1714		2.6003	3.2847	2.6300
H6	2.1190	1.0942	3.7009	2.6003	2.6003		1.7841	1.7841
H7	2.1415	1.0915	2.9444	2.6300	3.2847	1.7841		1.7833
H8	2.1415	1.0915	2.9444	3.2847	2.6300	1.7841	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.189	C1	C2	H7	110.117
C1	C2	H8	110.117	C2	C1	Cl3	111.865
C2	C1	F4	110.946	C2	C1	F5	110.946
Cl3	C1	F4	107.736	Cl3	C1	F5	107.736
F4	C1	F5	107.420	H6	C2	H7	109.419
H6	C2	H8	109.419	H7	C2	H8	109.555

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	0.459
2	C	-0.563
3	Cl	-0.040
4	F	-0.245
5	F	-0.245
6	H	0.211
7	H	0.212
8	H	0.212

	x	y	z	Total
	-0.994	1.939	0.000	2.179
CHELPG
AIM
ESP

	x	y	z
x	6.103	-0.376	0.000
y	-0.376	4.228	0.000
z	0.000	0.000	4.046

<r²>	130.170
(<r²>)^1/2	11.409

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)