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	hartrees
Energy at 0K	-1197.316483
Energy at 298.15K	-1197.320006
HF Energy	-1197.316483
Nuclear repulsion energy	379.479185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3019	18.35
2	A'	3159	3002	5.20
3	A'	1441	1370	48.86
4	A'	1272	1208	3.10
5	A'	1176	1117	121.53
6	A'	1105	1051	18.21
7	A'	814	774	33.82
8	A'	580	551	8.64
9	A'	405	385	14.65
10	A'	343	326	12.70
11	A'	250	237	0.47
12	A"	1413	1343	23.39
13	A"	1267	1204	17.54
14	A"	1213	1152	138.80
15	A"	853	811	134.80
16	A"	407	387	1.72
17	A"	182	173	1.28
18	A"	76	73	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.226	0.000
C2	-0.363	1.096	0.000
H3	1.482	-0.050	0.000
H4	-1.440	0.920	0.000
Cl5	-0.006	-1.133	1.467
Cl6	-0.006	-1.133	-1.467
F7	-0.006	1.802	1.091
F8	-0.006	1.802	-1.091

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5276	1.0920	2.1710	1.7732	1.7732	2.3388	2.3388
C2	1.5276		2.1710	1.0920	2.6924	2.6924	1.3481	1.3481
H3	1.0920	2.1710		3.0786	2.3534	2.3534	2.6137	2.6137
H4	2.1710	1.0920	3.0786		2.9029	2.9029	2.0070	2.0070
Cl5	1.7732	2.6924	2.3534	2.9029		2.9344	2.9592	3.8939
Cl6	1.7732	2.6924	2.3534	2.9029	2.9344		3.8939	2.9592
F7	2.3388	1.3481	2.6137	2.0070	2.9592	3.8939		2.1829
F8	2.3388	1.3481	2.6137	2.0070	3.8939	2.9592	2.1829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.843	C1	C2	F7	108.678
C1	C2	F8	108.678	C2	C1	H3	110.843
C2	C1	Cl5	109.084	C2	C1	Cl6	109.084
H3	C1	Cl5	108.080	H3	C1	Cl6	108.080
H4	C2	F7	110.228	H4	C2	F8	110.228
Cl5	C1	Cl6	111.673	F7	C2	F8	108.116

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

using model chemistry: M06-2X/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	-0.398
2	C	0.542
3	H	0.240
4	H	0.137
5	Cl	0.022
6	Cl	0.022
7	F	-0.282
8	F	-0.282

	x	y	z
x	4.667	0.175	0.000
y	0.175	5.901	0.000
z	0.000	0.000	7.688

<r²>	240.950
(<r²>)^1/2	15.523

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

using model chemistry: M06-2X/6-31G**

States and conformations

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