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	hartrees
Energy at 0K	-1197.254133
Energy at 298.15K	-1197.257496
HF Energy	-1197.254133
Nuclear repulsion energy	369.073033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	3213	0.68
2	A	1419	1419	1.41
3	A	1311	1311	15.22
4	A	1150	1150	49.18
5	A	1063	1063	161.29
6	A	811	811	84.85
7	A	439	439	2.48
8	A	301	301	1.62
9	A	161	161	1.41
10	A	75	75	1.10
11	B	3225	3225	2.72
12	B	1348	1348	6.40
13	B	1266	1266	23.70
14	B	1066	1066	15.61
15	B	794	794	115.01
16	B	415	415	18.59
17	B	372	372	12.58
18	B	331	331	16.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	0.720	0.417
C2	0.239	-0.720	0.417
H3	-1.322	0.806	0.382
H4	1.322	-0.806	0.382
F5	0.239	1.314	1.592
F6	-0.239	-1.314	1.592
Cl7	0.453	1.642	-1.013
Cl8	-0.453	-1.642	-1.013

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5169	1.0869	2.1835	1.4013	2.3490	1.8366	2.7688
C2	1.5169		2.1835	1.0869	2.3490	1.4013	2.7688	1.8366
H3	1.0869	2.1835		3.0971	2.0399	2.6706	2.4073	2.9484
H4	2.1835	1.0869	3.0971		2.6706	2.0399	2.9484	2.4073
F5	1.4013	2.3490	2.0399	2.6706		2.6719	2.6337	4.0003
F6	2.3490	1.4013	2.6706	2.0399	2.6719		4.0003	2.6337
Cl7	1.8366	2.7688	2.4073	2.9484	2.6337	4.0003		3.4063
Cl8	2.7688	1.8366	2.9484	2.4073	4.0003	2.6337	3.4063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.942	C1	C2	F6	107.146
C1	C2	Cl8	110.946	C2	C1	H3	112.942
C2	C1	F5	107.146	C2	C1	Cl7	110.946
H3	C1	F5	109.487	H3	C1	Cl7	108.103
H4	C2	F6	109.487	H4	C2	Cl8	108.103
F5	C1	Cl7	108.110	F6	C2	Cl8	108.110

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

using model chemistry: wB97X-D/6-31G

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	-0.039
2	C	-0.039
3	H	0.261
4	H	0.261
5	F	-0.291
6	F	-0.291
7	Cl	0.069
8	Cl	0.069

	x	y	z	Total
	0.000	0.000	-0.403	0.403
CHELPG
AIM
ESP

	x	y	z
x	4.259	0.943	0.000
y	0.943	5.755	0.000
z	0.000	0.000	6.881

<r²>	256.078
(<r²>)^1/2	16.002