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	hartrees
Energy at 0K	-1194.736378
Energy at 298.15K	-1194.740148
HF Energy	-1194.736378
Nuclear repulsion energy	379.326820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3334	3014	0.53
2	A	1549	1400	10.46
3	A	1433	1296	26.01
4	A	1245	1125	213.45
5	A	1174	1062	114.21
6	A	913	825	100.88
7	A	498	450	0.70
8	A	340	308	1.86
9	A	179	162	0.66
10	A	86	78	0.87
11	B	3345	3025	9.21
12	B	1475	1333	10.62
13	B	1362	1232	37.49
14	B	1207	1092	33.88
15	B	907	820	138.34
16	B	469	424	15.89
17	B	425	384	10.00
18	B	365	330	14.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.727	0.393
C2	0.226	-0.727	0.393
H3	-1.300	0.809	0.364
H4	1.300	-0.809	0.364
F5	0.226	1.282	1.532
F6	-0.226	-1.282	1.532
Cl7	0.448	1.619	-0.971
Cl8	-0.448	-1.619	-0.971

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5233	1.0773	2.1652	1.3452	2.3098	1.7640	2.7237
C2	1.5233		2.1652	1.0773	2.3098	1.3452	2.7237	1.7640
H3	1.0773	2.1652		3.0616	1.9787	2.6247	2.3442	2.8993
H4	2.1652	1.0773	3.0616		2.6247	1.9787	2.8993	2.3442
F5	1.3452	2.3098	1.9787	2.6247		2.6032	2.5363	3.8911
F6	2.3098	1.3452	2.6247	1.9787	2.6032		3.8911	2.5363
Cl7	1.7640	2.7237	2.3442	2.8993	2.5363	3.8911		3.3603
Cl8	2.7237	1.7640	2.8993	2.3442	3.8911	2.5363	3.3603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.577	C1	C2	F6	107.105
C1	C2	Cl8	111.695	C2	C1	H3	111.577
C2	C1	F5	107.105	C2	C1	Cl7	111.695
H3	C1	F5	109.035	H3	C1	Cl7	108.771
H4	C2	F6	109.035	H4	C2	Cl8	108.771
F5	C1	Cl7	108.575	F6	C2	Cl8	108.575

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

using model chemistry: HF/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	0.111
2	C	0.111
3	H	0.197
4	H	0.197
5	F	-0.312
6	F	-0.312
7	Cl	0.004
8	Cl	0.004

	x	y	z	Total
	0.000	0.000	-0.587	0.587
CHELPG
AIM
ESP

	x	y	z
x	5.622	0.671	0.000
y	0.671	6.867	0.000
z	0.000	0.000	7.180

<r²>	245.333
(<r²>)^1/2	15.663