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	hartrees
Energy at 0K	-1197.064389
Energy at 298.15K	-1197.067891
HF Energy	-1197.064389
Nuclear repulsion energy	379.168503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3036	20.31
2	A'	3148	3021	3.97
3	A'	1434	1376	40.02
4	A'	1273	1222	0.41
5	A'	1149	1103	141.19
6	A'	1088	1044	28.61
7	A'	807	774	35.15
8	A'	581	557	8.17
9	A'	403	386	15.24
10	A'	347	333	10.99
11	A'	255	245	0.36
12	A"	1395	1339	12.85
13	A"	1279	1227	18.66
14	A"	1148	1101	166.43
15	A"	822	789	156.55
16	A"	398	382	2.24
17	A"	181	174	1.44
18	A"	74	71	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	-0.227	0.000
C2	-0.358	1.097	0.000
H3	1.477	-0.063	0.000
H4	-1.436	0.933	0.000
Cl5	-0.006	-1.137	1.466
Cl6	-0.006	-1.137	-1.466
F7	-0.006	1.810	1.090
F8	-0.006	1.810	-1.090

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5251	1.0902	2.1709	1.7725	1.7725	2.3452	2.3452
C2	1.5251		2.1709	1.0902	2.6954	2.6954	1.3492	1.3492
H3	1.0902	2.1709		3.0784	2.3455	2.3455	2.6256	2.6256
H4	2.1709	1.0902	3.0784		2.9122	2.9122	2.0004	2.0004
Cl5	1.7725	2.6954	2.3455	2.9122		2.9319	2.9710	3.9011
Cl6	1.7725	2.6954	2.3455	2.9122	2.9319		3.9011	2.9710
F7	2.3452	1.3492	2.6256	2.0004	2.9710	3.9011		2.1800
F8	2.3452	1.3492	2.6256	2.0004	3.9011	2.9710	2.1800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.120	C1	C2	F7	109.207
C1	C2	F8	109.207	C2	C1	H3	111.120
C2	C1	Cl5	109.418	C2	C1	Cl6	109.418
H3	C1	Cl5	107.640	H3	C1	Cl6	107.640
H4	C2	F7	109.727	H4	C2	F8	109.727
Cl5	C1	Cl6	111.594	F7	C2	F8	107.787

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

using model chemistry: HSEh1PBE/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	-0.527
2	C	0.345
3	H	0.334
4	H	0.229
5	Cl	0.018
6	Cl	0.018
7	F	-0.209
8	F	-0.209

	x	y	z	Total
	-0.060	-0.073	0.000	0.094
CHELPG
AIM
ESP

	x	y	z
x	4.584	0.136	0.000
y	0.136	6.045	0.000
z	0.000	0.000	8.066

<r²>	242.053
(<r²>)^1/2	15.558

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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