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	hartrees
Energy at 0K	-1197.450856
Energy at 298.15K	-1197.454341
HF Energy	-1197.450856
Nuclear repulsion energy	378.454473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3022	8.15
2	A'	3163	3010	6.97
3	A'	1419	1350	36.07
4	A'	1265	1204	1.59
5	A'	1147	1092	125.16
6	A'	1083	1031	27.32
7	A'	806	767	34.55
8	A'	572	544	7.54
9	A'	401	382	16.97
10	A'	347	330	11.42
11	A'	253	240	0.39
12	A"	1371	1305	9.64
13	A"	1262	1201	16.71
14	A"	1140	1085	177.65
15	A"	827	787	141.95
16	A"	397	378	1.67
17	A"	179	170	1.19
18	A"	76	72	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.403	-0.230	0.000
C2	-0.359	1.095	0.000
H3	1.482	-0.068	0.000
H4	-1.438	0.932	0.000
Cl5	-0.006	-1.139	1.468
Cl6	-0.006	-1.139	-1.468
F7	-0.006	1.814	1.093
F8	-0.006	1.814	-1.093

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5286	1.0908	2.1777	1.7739	1.7739	2.3541	2.3541
C2	1.5286		2.1777	1.0908	2.6955	2.6955	1.3555	1.3555
H3	1.0908	2.1777		3.0867	2.3483	2.3483	2.6365	2.6365
H4	2.1777	1.0908	3.0867		2.9144	2.9144	2.0058	2.0058
Cl5	1.7739	2.6955	2.3483	2.9144		2.9352	2.9767	3.9084
Cl6	1.7739	2.6955	2.3483	2.9144	2.9352		3.9084	2.9767
F7	2.3541	1.3555	2.6365	2.0058	2.9767	3.9084		2.1855
F8	2.3541	1.3555	2.6365	2.0058	3.9084	2.9767	2.1855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.389	C1	C2	F7	109.271
C1	C2	F8	109.271	C2	C1	H3	111.389
C2	C1	Cl5	109.186	C2	C1	Cl6	109.186
H3	C1	Cl5	107.718	H3	C1	Cl6	107.718
H4	C2	F7	109.689	H4	C2	F8	109.689
Cl5	C1	Cl6	111.649	F7	C2	F8	107.446

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.334
2	C	0.349
3	H	0.283
4	H	0.183
5	Cl	0.033
6	Cl	0.033
7	F	-0.274
8	F	-0.274

	x	y	z	Total
	-0.071	-0.349	0.000	0.356
CHELPG
AIM
ESP

	x	y	z
x	5.767	0.130	0.000
y	0.130	7.151	0.000
z	0.000	0.000	8.717

<r²>	242.751
(<r²>)^1/2	15.580

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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