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	hartrees
Energy at 0K	-737.897017
Energy at 298.15K	-737.901324
HF Energy	-737.897017
Nuclear repulsion energy	245.480714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3032	3.81
2	A'	3068	2950	1.78
3	A'	1474	1417	0.41
4	A'	1412	1357	42.55
5	A'	1239	1191	127.45
6	A'	1128	1084	180.85
7	A'	904	870	107.61
8	A'	676	650	59.92
9	A'	544	524	13.83
10	A'	427	411	3.00
11	A'	300	288	1.29
12	A"	3171	3049	1.91
13	A"	1471	1415	2.53
14	A"	1209	1162	170.44
15	A"	975	937	50.42
16	A"	430	414	0.06
17	A"	331	318	0.50
18	A"	240	231	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.355	0.003	0.000
C2	-0.813	1.431	0.000
Cl3	1.437	-0.127	0.000
F4	-0.813	-0.654	1.081
F5	-0.813	-0.654	-1.081
H6	-1.903	1.442	0.000
H7	-0.442	1.937	0.889
H8	-0.442	1.937	-0.889

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5005	1.7964	1.3453	1.3453	2.1142	2.1306	2.1306
C2	1.5005		2.7368	2.3489	2.3489	1.0904	1.0876	1.0876
Cl3	1.7964	2.7368		2.5513	2.5513	3.6903	2.9291	2.9291
F4	1.3453	2.3489	2.5513		2.1622	2.5982	2.6245	3.2757
F5	1.3453	2.3489	2.5513	2.1622		2.5982	3.2757	2.6245
H6	2.1142	1.0904	3.6903	2.5982	2.5982		1.7804	1.7804
H7	2.1306	1.0876	2.9291	2.6245	3.2757	1.7804		1.7771
H8	2.1306	1.0876	2.9291	3.2757	2.6245	1.7804	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.335	C1	C2	H7	109.795
C1	C2	H8	109.795	C2	C1	Cl3	111.909
C2	C1	F4	111.143	C2	C1	F5	111.143
Cl3	C1	F4	107.733	Cl3	C1	F5	107.733
F4	C1	F5	106.957	H6	C2	H7	109.663
H6	C2	H8	109.663	H7	C2	H8	109.572

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

using model chemistry: B3PW91/cc-pVTZ

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	0.385
2	C	-0.260
3	Cl	-0.145
4	F	-0.158
5	F	-0.158
6	H	0.108
7	H	0.114
8	H	0.114

	x	y	z	Total
	-0.800	2.032	0.000	2.183
CHELPG
AIM
ESP

	x	y	z
x	6.728	-0.412	0.000
y	-0.412	5.134	0.000
z	0.000	0.000	4.768

<r²>	129.800
(<r²>)^1/2	11.393

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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