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	hartrees
Energy at 0K	-1093.024672
Energy at 298.15K	-1093.028675
HF Energy	-1093.024672
Nuclear repulsion energy	295.658620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3049	0.23
2	A'	3111	2948	0.23
3	A'	1548	1467	9.15
4	A'	1488	1410	28.87
5	A'	1236	1172	99.95
6	A'	1141	1082	49.46
7	A'	963	913	63.30
8	A'	570	541	31.76
9	A'	415	394	4.59
10	A'	374	355	0.44
11	A'	262	248	0.44
12	A"	3191	3024	0.75
13	A"	1546	1466	4.05
14	A"	1161	1100	109.42
15	A"	725	687	192.26
16	A"	385	365	1.32
17	A"	301	286	0.83
18	A"	280	266	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	0.346	0.000
C2	-1.202	1.236	0.000
F3	1.174	1.111	0.000
Cl4	0.028	-0.702	1.464
Cl5	0.028	-0.702	-1.464
H6	-2.113	0.639	0.000
H7	-1.175	1.868	0.891
H8	-1.175	1.868	-0.891

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5184	1.3787	1.8006	1.8006	2.1610	2.1350	2.1350
C2	1.5184		2.3795	2.7228	2.7228	1.0897	1.0924	1.0924
F3	1.3787	2.3795		2.5975	2.5975	3.3213	2.6243	2.6243
Cl4	1.8006	2.7228	2.5975		2.9290	2.9200	2.8946	3.6877
Cl5	1.8006	2.7228	2.5975	2.9290		2.9200	3.6877	2.8946
H6	2.1610	1.0897	3.3213	2.9200	2.9200		1.7843	1.7843
H7	2.1350	1.0924	2.6243	2.8946	3.6877	1.7843		1.7825
H8	2.1350	1.0924	2.6243	3.6877	2.8946	1.7843	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.830	C1	C2	H7	108.617
C1	C2	H8	108.617	C2	C1	F3	110.345
C2	C1	Cl4	109.955	C2	C1	Cl5	109.955
F3	C1	Cl4	108.850	F3	C1	Cl5	108.850
Cl4	C1	Cl5	108.850	H6	C2	H7	109.705
H6	C2	H8	109.705	H7	C2	H8	109.336

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)

using model chemistry: wB97X-D/3-21G*

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	0.047
2	C	-0.636
3	F	-0.263
4	Cl	0.031
5	Cl	0.031
6	H	0.259
7	H	0.266
8	H	0.266

	x	y	z	Total
	-1.856	1.364	0.000	2.303
CHELPG
AIM
ESP

	x	y	z
x	4.375	-0.212	0.000
y	-0.212	5.678	0.000
z	0.000	0.000	7.180

<r²>	174.700
(<r²>)^1/2	13.217

All results from a given calculation for CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)