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	hartrees
Energy at 0K	-1196.957562
Energy at 298.15K	-1196.961048
HF Energy	-1196.957562
Nuclear repulsion energy	380.339973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3002	8.62
2	A'	3120	2988	13.77
3	A'	1413	1353	38.22
4	A'	1254	1201	4.37
5	A'	1155	1106	111.92
6	A'	1088	1042	14.21
7	A'	809	775	29.90
8	A'	584	559	7.22
9	A'	400	383	11.89
10	A'	341	326	9.91
11	A'	249	238	0.30
12	A"	1387	1328	12.07
13	A"	1236	1184	16.76
14	A"	1178	1128	141.35
15	A"	836	800	131.69
16	A"	400	383	1.67
17	A"	177	170	0.91
18	A"	73	70	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.228	0.000
C2	-0.359	1.099	0.000
H3	1.479	-0.056	0.000
H4	-1.439	0.926	0.000
Cl5	-0.005	-1.133	1.463
Cl6	-0.005	-1.133	-1.463
F7	-0.005	1.801	1.086
F8	-0.005	1.801	-1.086

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5289	1.0932	2.1711	1.7666	1.7666	2.3375	2.3375
C2	1.5289		2.1711	1.0932	2.6914	2.6914	1.3410	1.3410
H3	1.0932	2.1711		3.0789	2.3459	2.3459	2.6143	2.6143
H4	2.1711	1.0932	3.0789		2.9039	2.9039	1.9998	1.9998
Cl5	1.7666	2.6914	2.3459	2.9039		2.9250	2.9581	3.8865
Cl6	1.7666	2.6914	2.3459	2.9039	2.9250		3.8865	2.9581
F7	2.3375	1.3410	2.6143	1.9998	2.9581	3.8865		2.1724
F8	2.3375	1.3410	2.6143	1.9998	3.8865	2.9581	2.1724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.687	C1	C2	F7	108.899
C1	C2	F8	108.899	C2	C1	H3	110.687
C2	C1	Cl5	109.297	C2	C1	Cl6	109.297
H3	C1	Cl5	107.897	H3	C1	Cl6	107.897
H4	C2	F7	110.058	H4	C2	F8	110.058
Cl5	C1	Cl6	111.757	F7	C2	F8	108.186

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.139
2	C	0.180
3	H	0.217
4	H	0.136
5	Cl	-0.089
6	Cl	-0.089
7	F	-0.107
8	F	-0.107

	x	y	z	Total
	0.031	0.082	0.000	0.088
CHELPG
AIM
ESP

	x	y	z
x	5.461	0.086	0.000
y	0.086	6.851	0.000
z	0.000	0.000	8.334

<r²>	239.839
(<r²>)^1/2	15.487

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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