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	hartrees
Energy at 0K	-1197.530157
Energy at 298.15K	-1197.533379
HF Energy	-1197.530157
Nuclear repulsion energy	370.197792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3048	3041	0.49
2	A	1359	1356	5.48
3	A	1263	1259	12.37
4	A	1048	1045	126.34
5	A	1007	1004	140.92
6	A	762	760	126.66
7	A	421	420	5.40
8	A	300	299	1.54
9	A	158	158	0.71
10	A	71	71	0.56
11	B	3060	3052	16.71
12	B	1312	1309	7.91
13	B	1201	1198	38.16
14	B	1005	1003	28.39
15	B	742	740	118.03
16	B	412	411	12.13
17	B	364	363	7.68
18	B	311	310	9.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.226	0.737	0.411
C2	0.226	-0.737	0.411
H3	-1.316	0.834	0.360
H4	1.316	-0.834	0.360
F5	0.226	1.313	1.581
F6	-0.226	-1.313	1.581
Cl7	0.482	1.639	-1.003
Cl8	-0.482	-1.639	-1.003

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5418	1.0955	2.2023	1.3804	2.3603	1.8205	2.7765
C2	1.5418		2.2023	1.0955	2.3603	1.3804	2.7765	1.8205
H3	1.0955	2.2023		3.1165	2.0246	2.6999	2.3953	2.9445
H4	2.2023	1.0955	3.1165		2.6999	2.0246	2.9445	2.3953
F5	1.3804	2.3603	2.0246	2.6999		2.6644	2.6173	3.9865
F6	2.3603	1.3804	2.6999	2.0246	2.6644		3.9865	2.6173
Cl7	1.8205	2.7765	2.3953	2.9445	2.6173	3.9865		3.4160
Cl8	2.7765	1.8205	2.9445	2.3953	3.9865	2.6173	3.4160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.133	C1	C2	F6	107.620
C1	C2	Cl8	111.068	C2	C1	H3	112.133
C2	C1	F5	107.620	C2	C1	Cl7	111.068
H3	C1	F5	109.176	H3	C1	Cl7	107.860
H4	C2	F6	109.176	H4	C2	Cl8	107.860
F5	C1	Cl7	108.934	F6	C2	Cl8	108.934

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

using model chemistry: BLYP/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	-0.034
2	C	-0.034
3	H	0.261
4	H	0.261
5	F	-0.185
6	F	-0.185
7	Cl	-0.042
8	Cl	-0.042

	x	y	z	Total
	0.000	0.000	-0.092	0.092
CHELPG
AIM
ESP

	x	y	z
x	5.171	0.868	0.000
y	0.868	7.024	0.000
z	0.000	0.000	7.660

<r²>	255.345
(<r²>)^1/2	15.980