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	hartrees
Energy at 0K	-1197.441684
Energy at 298.15K	-1197.444895
HF Energy	-1197.441684
Nuclear repulsion energy	369.920256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3022	3027	0.45
2	A	1329	1331	7.33
3	A	1215	1217	10.16
4	A	1061	1063	152.66
5	A	1009	1011	114.81
6	A	760	761	102.73
7	A	421	422	4.39
8	A	295	295	1.16
9	A	156	157	0.66
10	A	70	70	0.48
11	B	3033	3038	16.22
12	B	1273	1275	3.53
13	B	1157	1159	33.93
14	B	1021	1023	28.31
15	B	744	745	106.04
16	B	409	410	11.06
17	B	360	361	6.99
18	B	311	311	9.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.225	0.739	0.414
C2	0.225	-0.739	0.414
H3	-1.326	0.833	0.352
H4	1.326	-0.833	0.352
F5	0.225	1.316	1.585
F6	-0.225	-1.316	1.585
Cl7	0.487	1.631	-1.006
Cl8	-0.487	-1.631	-1.006

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5443	1.1066	2.2095	1.3806	2.3643	1.8226	2.7753
C2	1.5443		2.2095	1.1066	2.3643	1.3806	2.7753	1.8226
H3	1.1066	2.2095		3.1326	2.0391	2.7109	2.4022	2.9368
H4	2.2095	1.1066	3.1326		2.7109	2.0391	2.9368	2.4022
F5	1.3806	2.3643	2.0391	2.7109		2.6698	2.6227	3.9880
F6	2.3643	1.3806	2.7109	2.0391	2.6698		3.9880	2.6227
Cl7	1.8226	2.7753	2.4022	2.9368	2.6227	3.9880		3.4055
Cl8	2.7753	1.8226	2.9368	2.4022	3.9880	2.6227	3.4055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.864	C1	C2	F6	107.735
C1	C2	Cl8	110.761	C2	C1	H3	111.864
C2	C1	F5	107.735	C2	C1	Cl7	110.761
H3	C1	F5	109.641	H3	C1	Cl7	107.668
H4	C2	F6	109.641	H4	C2	Cl8	107.668
F5	C1	Cl7	109.147	F6	C2	Cl8	109.147

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

using model chemistry: BLYP/cc-pVDZ

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	0.169
2	C	0.169
3	H	0.062
4	H	0.062
5	F	-0.152
6	F	-0.152
7	Cl	-0.080
8	Cl	-0.080

	x	y	z	Total
	0.000	0.000	0.003	0.003
CHELPG
AIM
ESP

	x	y	z
x	5.106	0.740	0.000
y	0.740	6.650	0.000
z	0.000	0.000	7.277

<r²>	254.396
(<r²>)^1/2	15.950