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	hartrees
Energy at 0K	-737.816228
Energy at 298.15K	-737.820393
HF Energy	-737.816228
Nuclear repulsion energy	238.521781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3053	2.63
2	A'	3087	2970	1.06
3	A'	1525	1467	3.55
4	A'	1476	1420	26.90
5	A'	1244	1197	132.94
6	A'	1165	1120	155.61
7	A'	880	847	130.03
8	A'	627	603	82.35
9	A'	501	482	19.87
10	A'	394	379	3.67
11	A'	290	279	1.13
12	A"	3194	3073	1.80
13	A"	1522	1464	5.53
14	A"	1240	1193	138.25
15	A"	985	947	62.56
16	A"	410	394	0.10
17	A"	311	300	1.14
18	A"	254	244	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.378	0.017	0.000
C2	-0.841	1.442	0.000
Cl3	1.491	-0.124	0.000
F4	-0.841	-0.668	1.122
F5	-0.841	-0.668	-1.122
H6	-1.935	1.453	0.000
H7	-0.477	1.957	0.890
H8	-0.477	1.957	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4990	1.8746	1.3931	1.3931	2.1181	2.1367	2.1367
C2	1.4990		2.8095	2.3895	2.3895	1.0941	1.0907	1.0907
Cl3	1.8746	2.8095		2.6447	2.6447	3.7717	2.9991	2.9991
F4	1.3931	2.3895	2.6447		2.2431	2.6362	2.6595	3.3267
F5	1.3931	2.3895	2.6447	2.2431		2.6362	3.3267	2.6595
H6	2.1181	1.0941	3.7717	2.6362	2.6362		1.7813	1.7813
H7	2.1367	1.0907	2.9991	2.6595	3.3267	1.7813		1.7804
H8	2.1367	1.0907	2.9991	3.3267	2.6595	1.7813	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.531	C1	C2	H7	110.200
C1	C2	H8	110.200	C2	C1	Cl3	112.295
C2	C1	F4	111.375	C2	C1	F5	111.375
Cl3	C1	F4	107.140	Cl3	C1	F5	107.140
F4	C1	F5	107.237	H6	C2	H7	109.241
H6	C2	H8	109.241	H7	C2	H8	109.405

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

using model chemistry: B3LYP/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	0.353
2	C	-0.424
3	Cl	0.037
4	F	-0.270
5	F	-0.270
6	H	0.192
7	H	0.191
8	H	0.191

	x	y	z	Total
	-1.043	2.574	0.000	2.777
CHELPG
AIM
ESP

	x	y	z
x	6.202	-0.350	0.000
y	-0.350	3.764	0.000
z	0.000	0.000	3.760

<r²>	136.553
(<r²>)^1/2	11.686

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

using model chemistry: B3LYP/6-31G

States and conformations

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