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	hartrees
Energy at 0K	-1193.995222
Energy at 298.15K	-1193.998644
HF Energy	-1193.995222
Nuclear repulsion energy	379.948500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3018	2987	0.23
2	A	1345	1331	14.85
3	A	1243	1230	2.61
4	A	1125	1113	200.02
5	A	1075	1064	88.52
6	A	819	810	97.39
7	A	457	452	2.53
8	A	308	305	1.30
9	A	164	162	0.79
10	A	78	77	0.59
11	B	3031	2999	9.36
12	B	1290	1276	7.60
13	B	1176	1164	26.07
14	B	1096	1085	29.43
15	B	809	800	102.85
16	B	428	423	9.61
17	B	384	380	7.03
18	B	321	318	12.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.221	0.722	0.400
C2	0.221	-0.722	0.400
H3	-1.319	0.800	0.344
H4	1.319	-0.800	0.344
F5	0.221	1.280	1.547
F6	-0.221	-1.280	1.547
Cl7	0.470	1.580	-0.981
Cl8	-0.470	-1.580	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5105	1.1023	2.1665	1.3499	2.3071	1.7668	2.6959
C2	1.5105		2.1665	1.1023	2.3071	1.3499	2.6959	1.7668
H3	1.1023	2.1665		3.0860	2.0128	2.6416	2.3595	2.8530
H4	2.1665	1.1023	3.0860		2.6416	2.0128	2.8530	2.3595
F5	1.3499	2.3071	2.0128	2.6416		2.5976	2.5577	3.8789
F6	2.3071	1.3499	2.6416	2.0128	2.5976		3.8789	2.5577
Cl7	1.7668	2.6959	2.3595	2.8530	2.5577	3.8789		3.2967
Cl8	2.6959	1.7668	2.8530	2.3595	3.8789	2.5577	3.2967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.072	C1	C2	F6	107.391
C1	C2	Cl8	110.450	C2	C1	H3	111.072
C2	C1	F5	107.391	C2	C1	Cl7	110.450
H3	C1	F5	109.924	H3	C1	Cl7	108.421
H4	C2	F6	109.924	H4	C2	Cl8	108.421
F5	C1	Cl7	109.576	F6	C2	Cl8	109.576

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

using model chemistry: SVWN/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	-0.073
2	C	-0.073
3	H	0.228
4	H	0.228
5	F	-0.156
6	F	-0.156
7	Cl	0.000
8	Cl	0.000

	x	y	z
x	5.223	0.748	0.000
y	0.748	6.800	0.000
z	0.000	0.000	7.371

<r²>	242.719
(<r²>)^1/2	15.579