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	hartrees
Energy at 0K	-1191.453889
Energy at 298.15K	-1191.456836
HF Energy	-1191.453889
Nuclear repulsion energy	361.644712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3086	3069	0.58
2	A	1367	1360	3.50
3	A	1227	1221	12.65
4	A	1087	1081	173.09
5	A	996	991	32.52
6	A	694	690	77.97
7	A	372	370	11.47
8	A	265	263	0.77
9	A	145	145	1.52
10	A	68	68	0.68
11	B	3099	3082	7.22
12	B	1306	1299	0.85
13	B	1171	1165	32.45
14	B	1051	1046	8.35
15	B	663	659	111.88
16	B	381	379	18.43
17	B	323	321	11.55
18	B	287	286	8.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.733	0.460
C2	0.224	-0.733	0.460
H3	-1.302	0.854	0.313
H4	1.302	-0.854	0.313
F5	0.224	1.342	1.636
F6	-0.224	-1.342	1.636
Cl7	0.606	1.605	-1.047
Cl8	-0.606	-1.605	-1.047

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5331	1.0944	2.2062	1.3976	2.3848	1.9292	2.8080
C2	1.5331		2.2062	1.0944	2.3848	1.3976	2.8080	1.9292
H3	1.0944	2.2062		3.1134	2.0774	2.7804	2.4611	2.8946
H4	2.2062	1.0944	3.1134		2.7804	2.0774	2.8946	2.4611
F5	1.3976	2.3848	2.0774	2.7804		2.7205	2.7231	4.0707
F6	2.3848	1.3976	2.7804	2.0774	2.7205		4.0707	2.7231
Cl7	1.9292	2.8080	2.4611	2.8946	2.7231	4.0707		3.4311
Cl8	2.8080	1.9292	2.8946	2.4611	4.0707	2.7231	3.4311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.144	C1	C2	F6	108.832
C1	C2	Cl8	107.839	C2	C1	H3	113.144
C2	C1	F5	108.832	C2	C1	Cl7	107.839
H3	C1	F5	112.371	H3	C1	Cl7	105.620
H4	C2	F6	112.371	H4	C2	Cl8	105.620
F5	C1	Cl7	108.822	F6	C2	Cl8	108.822

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

using model chemistry: BLYP/3-21G

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	-0.055
2	C	-0.055
3	H	0.271
4	H	0.271
5	F	-0.202
6	F	-0.202
7	Cl	-0.014
8	Cl	-0.014

	x	y	z	Total
	0.000	0.000	1.094	1.094
CHELPG
AIM
ESP

	x	y	z
x	4.391	1.201	0.000
y	1.201	5.857	0.000
z	0.000	0.000	7.266

<r²>	264.117
(<r²>)^1/2	16.252