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	hartrees
Energy at 0K	-1196.931817
Energy at 298.15K	-1196.935132
HF Energy	-1196.931817
Nuclear repulsion energy	375.069054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3053	3025	12.99
2	A'	3041	3013	8.40
3	A'	1352	1340	28.77
4	A'	1208	1197	0.11
5	A'	1080	1070	135.28
6	A'	1034	1024	24.89
7	A'	763	756	34.30
8	A'	551	546	7.04
9	A'	382	378	13.52
10	A'	331	328	10.35
11	A'	245	242	0.40
12	A"	1317	1305	7.84
13	A"	1207	1196	16.55
14	A"	1066	1056	160.78
15	A"	757	750	166.87
16	A"	375	372	3.53
17	A"	174	172	1.20
18	A"	67	67	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.226	0.000
C2	-0.365	1.107	0.000
H3	1.487	-0.063	0.000
H4	-1.452	0.944	0.000
Cl5	-0.005	-1.149	1.482
Cl6	-0.005	-1.149	-1.482
F7	-0.005	1.828	1.105
F8	-0.005	1.828	-1.105

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5376	1.0988	2.1910	1.7921	1.7921	2.3675	2.3675
C2	1.5376		2.1910	1.0988	2.7233	2.7233	1.3677	1.3677
H3	1.0988	2.1910		3.1066	2.3663	2.3663	2.6499	2.6499
H4	2.1910	1.0988	3.1066		2.9448	2.9448	2.0242	2.0242
Cl5	1.7921	2.7233	2.3663	2.9448		2.9640	3.0010	3.9439
Cl6	1.7921	2.7233	2.3663	2.9448	2.9640		3.9439	3.0010
F7	2.3675	1.3677	2.6499	2.0242	3.0010	3.9439		2.2095
F8	2.3675	1.3677	2.6499	2.0242	3.9439	3.0010	2.2095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.327	C1	C2	F7	109.017
C1	C2	F8	109.017	C2	C1	H3	111.327
C2	C1	Cl5	109.514	C2	C1	Cl6	109.514
H3	C1	Cl5	107.443	H3	C1	Cl6	107.443
H4	C2	F7	109.826	H4	C2	F8	109.826
Cl5	C1	Cl6	111.582	F7	C2	F8	107.750

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

using model chemistry: PBEPBE/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	-0.432
2	C	0.381
3	H	0.252
4	H	0.141
5	Cl	0.013
6	Cl	0.013
7	F	-0.184
8	F	-0.184

	x	y	z	Total
	-0.048	0.008	0.000	0.049
CHELPG
AIM
ESP

	x	y	z
x	4.800	0.100	0.000
y	0.100	6.479	0.000
z	0.000	0.000	8.594

<r²>	246.661
(<r²>)^1/2	15.705

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

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

States and conformations

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