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	hartrees
Energy at 0K	-1194.059473
Energy at 298.15K	-1194.062873
HF Energy	-1194.059473
Nuclear repulsion energy	382.258740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3019	2995	7.86
2	A'	3004	2981	7.12
3	A'	1338	1327	34.63
4	A'	1198	1189	9.52
5	A'	1119	1110	93.81
6	A'	1066	1057	24.03
7	A'	790	784	24.69
8	A'	567	562	5.88
9	A'	392	389	12.11
10	A'	330	328	9.98
11	A'	242	240	0.20
12	A"	1280	1270	5.65
13	A"	1168	1159	8.51
14	A"	1109	1100	171.46
15	A"	804	797	123.05
16	A"	391	388	1.38
17	A"	173	171	0.76
18	A"	74	74	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.230	0.000
C2	-0.354	1.074	0.000
H3	1.494	-0.051	0.000
H4	-1.441	0.895	0.000
Cl5	-0.007	-1.121	1.455
Cl6	-0.007	-1.121	-1.455
F7	-0.007	1.789	1.087
F8	-0.007	1.789	-1.087

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5097	1.1018	2.1636	1.7561	1.7561	2.3298	2.3298
C2	1.5097		2.1636	1.1018	2.6564	2.6564	1.3465	1.3465
H3	1.1018	2.1636		3.0840	2.3489	2.3489	2.6113	2.6113
H4	2.1636	1.1018	3.0840		2.8704	2.8704	2.0095	2.0095
Cl5	1.7561	2.6564	2.3489	2.8704		2.9108	2.9331	3.8641
Cl6	1.7561	2.6564	2.3489	2.8704	2.9108		3.8641	2.9331
F7	2.3298	1.3465	2.6113	2.0095	2.9331	3.8641		2.1740
F8	2.3298	1.3465	2.6113	2.0095	3.8641	2.9331	2.1740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.921	C1	C2	F7	109.180
C1	C2	F8	109.180	C2	C1	H3	110.921
C2	C1	Cl5	108.629	C2	C1	Cl6	108.629
H3	C1	Cl5	108.366	H3	C1	Cl6	108.366
H4	C2	F7	109.917	H4	C2	F8	109.917
Cl5	C1	Cl6	111.947	F7	C2	F8	107.658

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: SVWN/aug-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	0.068
2	C	0.465
3	H	0.174
4	H	0.295
5	Cl	-0.186
6	Cl	-0.186
7	F	-0.315
8	F	-0.315

	x	y	z	Total
	-0.018	-0.360	0.000	0.360
CHELPG
AIM
ESP

	x	y	z
x	7.197	0.052	0.000
y	0.052	8.654	0.000
z	0.000	0.000	10.080

<r²>	237.828
(<r²>)^1/2	15.422

All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)