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	hartrees
Energy at 0K	-735.843882
Energy at 298.15K	-735.848472
HF Energy	-735.843882
Nuclear repulsion energy	247.701985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	2986	8.93
2	A'	3243	2914	4.80
3	A'	1624	1459	0.21
4	A'	1583	1422	33.03
5	A'	1378	1238	165.37
6	A'	1259	1131	202.59
7	A'	1011	908	132.22
8	A'	740	665	61.58
9	A'	584	525	20.59
10	A'	472	425	0.60
11	A'	328	295	0.99
12	A"	3341	3002	7.69
13	A"	1625	1460	0.76
14	A"	1383	1242	200.83
15	A"	1101	989	43.99
16	A"	463	416	0.14
17	A"	365	328	0.68
18	A"	273	245	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.345	0.002	0.000
C2	-0.807	1.433	0.000
Cl3	1.424	-0.143	0.000
F4	-0.807	-0.639	1.068
F5	-0.807	-0.639	-1.068
H6	-1.890	1.434	0.000
H7	-0.445	1.939	0.884
H8	-0.445	1.939	-0.884

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5039	1.7747	1.3284	1.3284	2.1066	2.1316	2.1316
C2	1.5039		2.7315	2.3311	2.3311	1.0832	1.0807	1.0807
Cl3	1.7747	2.7315		2.5222	2.5222	3.6700	2.9345	2.9345
F4	1.3284	2.3311	2.5222		2.1362	2.5711	2.6097	3.2537
F5	1.3284	2.3311	2.5222	2.1362		2.5711	3.2537	2.6097
H6	2.1066	1.0832	3.6700	2.5711	2.5711		1.7674	1.7674
H7	2.1316	1.0807	2.9345	2.6097	3.2537	1.7674		1.7677
H8	2.1316	1.0807	2.9345	3.2537	2.6097	1.7674	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.924	C1	C2	H7	110.047
C1	C2	H8	110.047	C2	C1	Cl3	112.579
C2	C1	F4	110.630	C2	C1	F5	110.630
Cl3	C1	F4	107.875	Cl3	C1	F5	107.875
F4	C1	F5	107.035	H6	C2	H7	109.525
H6	C2	H8	109.525	H7	C2	H8	109.745

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

using model chemistry: HF/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	0.657
2	C	-0.543
3	Cl	-0.046
4	F	-0.344
5	F	-0.344
6	H	0.207
7	H	0.206
8	H	0.206

	x	y	z	Total
	-0.797	2.153	0.000	2.296
CHELPG
AIM
ESP

	x	y	z
x	5.672	-0.350	0.000
y	-0.350	3.918	0.000
z	0.000	0.000	3.803

<r²>	128.245
(<r²>)^1/2	11.325

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

using model chemistry: HF/6-31G*

States and conformations

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