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	hartrees
Energy at 0K	-1197.533004
Energy at 298.15K	-1197.536330
HF Energy	-1197.533004
Nuclear repulsion energy	375.045298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3050	3010	0.06
2	A	1350	1332	4.03
3	A	1250	1233	5.86
4	A	1066	1052	143.03
5	A	1012	999	127.63
6	A	784	774	117.44
7	A	439	433	2.70
8	A	306	302	1.10
9	A	165	163	0.32
10	A	71	70	0.48
11	B	3063	3023	10.47
12	B	1303	1286	4.26
13	B	1198	1182	22.43
14	B	1017	1003	33.89
15	B	771	761	92.07
16	B	422	417	9.75
17	B	374	369	6.98
18	B	319	315	8.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.221	0.737	0.402
C2	0.221	-0.737	0.402
H3	-1.308	0.830	0.349
H4	1.308	-0.830	0.349
F5	0.221	1.316	1.562
F6	-0.221	-1.316	1.562
Cl7	0.484	1.600	-0.989
Cl8	-0.484	-1.600	-0.989

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5384	1.0924	2.1903	1.3694	2.3573	1.7833	2.7328
C2	1.5384		2.1903	1.0924	2.3573	1.3694	2.7328	1.7833
H3	1.0924	2.1903		3.0990	2.0114	2.6940	2.3658	2.8946
H4	2.1903	1.0924	3.0990		2.6940	2.0114	2.8946	2.3658
F5	1.3694	2.3573	2.0114	2.6940		2.6688	2.5801	3.9382
F6	2.3573	1.3694	2.6940	2.0114	2.6688		3.9382	2.5801
Cl7	1.7833	2.7328	2.3658	2.8946	2.5801	3.9382		3.3441
Cl8	2.7328	1.7833	2.8946	2.3658	3.9382	2.5801	3.3441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.605	C1	C2	F6	108.189
C1	C2	Cl8	110.496	C2	C1	H3	111.605
C2	C1	F5	108.189	C2	C1	Cl7	110.496
H3	C1	F5	109.067	H3	C1	Cl7	108.303
H4	C2	F6	109.067	H4	C2	Cl8	108.303
F5	C1	Cl7	109.145	F6	C2	Cl8	109.145

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.360
2	C	0.360
3	H	0.170
4	H	0.170
5	F	-0.348
6	F	-0.348
7	Cl	-0.181
8	Cl	-0.181

	x	y	z	Total
	0.000	0.000	-0.413	0.413
CHELPG
AIM
ESP

	x	y	z
x	7.301	0.718	0.000
y	0.718	9.151	0.000
z	0.000	0.000	9.162

<r²>	248.497
(<r²>)^1/2	15.764