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	hartrees
Energy at 0K	-737.951623
Energy at 298.15K	-737.955986
HF Energy	-737.951623
Nuclear repulsion energy	245.821247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3039	3.88
2	A'	3088	2954	1.56
3	A'	1479	1415	0.55
4	A'	1426	1365	50.99
5	A'	1257	1203	141.73
6	A'	1142	1092	205.47
7	A'	916	877	117.09
8	A'	684	655	67.19
9	A'	550	526	16.59
10	A'	434	415	2.65
11	A'	305	292	1.03
12	A"	3193	3055	2.36
13	A"	1480	1416	1.92
14	A"	1231	1178	194.97
15	A"	986	943	48.86
16	A"	434	415	0.02
17	A"	338	323	0.62
18	A"	255	244	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.353	0.003	0.000
C2	-0.812	1.429	0.000
Cl3	1.435	-0.128	0.000
F4	-0.812	-0.651	1.080
F5	-0.812	-0.651	-1.080
H6	-1.903	1.436	0.000
H7	-0.444	1.937	0.889
H8	-0.444	1.937	-0.889

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4984	1.7929	1.3434	1.3434	2.1106	2.1310	2.1310
C2	1.4984		2.7339	2.3438	2.3438	1.0907	1.0881	1.0881
Cl3	1.7929	2.7339		2.5473	2.5473	3.6859	2.9305	2.9305
F4	1.3434	2.3438	2.5473		2.1607	2.5906	2.6210	3.2729
F5	1.3434	2.3438	2.5473	2.1607		2.5906	3.2729	2.6210
H6	2.1106	1.0907	3.6859	2.5906	2.5906		1.7802	1.7802
H7	2.1310	1.0881	2.9305	2.6210	3.2729	1.7802		1.7783
H8	2.1310	1.0881	2.9305	3.2729	2.6210	1.7802	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.181	C1	C2	H7	109.935
C1	C2	H8	109.935	C2	C1	Cl3	112.020
C2	C1	F4	111.012	C2	C1	F5	111.012
Cl3	C1	F4	107.759	Cl3	C1	F5	107.759
F4	C1	F5	107.064	H6	C2	H7	109.582
H6	C2	H8	109.582	H7	C2	H8	109.606

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

using model chemistry: mPW1PW91/6-311G**

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	0.313
2	C	-0.326
3	Cl	-0.074
4	F	-0.193
5	F	-0.193
6	H	0.154
7	H	0.160
8	H	0.160

	x	y	z	Total
	-0.871	2.153	0.000	2.323
CHELPG
AIM
ESP

	x	y	z
x	6.339	-0.435	0.000
y	-0.435	4.356	0.000
z	0.000	0.000	4.023

<r²>	129.687
(<r²>)^1/2	11.388

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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