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	hartrees
Energy at 0K	-1191.686441
Energy at 298.15K	-1191.689512
HF Energy	-1191.686441
Nuclear repulsion energy	367.481737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3054	3035	1.16
2	A	1367	1358	1.03
3	A	1265	1256	19.74
4	A	1053	1047	145.82
5	A	989	983	24.06
6	A	730	726	94.57
7	A	397	395	8.91
8	A	276	274	1.16
9	A	153	152	1.30
10	A	71	71	0.48
11	B	3069	3049	14.14
12	B	1309	1301	1.70
13	B	1219	1211	25.97
14	B	1027	1020	11.76
15	B	691	687	114.61
16	B	383	380	10.05
17	B	343	340	16.74
18	B	310	308	6.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.735	0.424
C2	0.238	-0.735	0.424
H3	-1.331	0.798	0.357
H4	1.331	-0.798	0.357
F5	0.238	1.328	1.610
F6	-0.238	-1.328	1.610
Cl7	0.461	1.625	-1.023
Cl8	-0.461	-1.625	-1.023

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5448	1.0966	2.1952	1.4090	2.3790	1.8376	2.7773
C2	1.5448		2.1952	1.0966	2.3790	1.4090	2.7773	1.8376
H3	1.0966	2.1952		3.1045	2.0772	2.6992	2.4080	2.9215
H4	2.1952	1.0966	3.1045		2.6992	2.0772	2.9215	2.4080
F5	1.4090	2.3790	2.0772	2.6992		2.6978	2.6592	4.0177
F6	2.3790	1.4090	2.6992	2.0772	2.6978		4.0177	2.6592
Cl7	1.8376	2.7773	2.4080	2.9215	2.6592	4.0177		3.3787
Cl8	2.7773	1.8376	2.9215	2.4080	4.0177	2.6592	3.3787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.279	C1	C2	F6	107.207
C1	C2	Cl8	110.089	C2	C1	H3	111.279
C2	C1	F5	107.207	C2	C1	Cl7	110.089
H3	C1	F5	111.388	H3	C1	Cl7	107.604
H4	C2	F6	111.388	H4	C2	Cl8	107.604
F5	C1	Cl7	109.273	F6	C2	Cl8	109.273

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

using model chemistry: BLYP/3-21G*

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	-0.021
2	C	-0.021
3	H	0.256
4	H	0.256
5	F	-0.218
6	F	-0.218
7	Cl	-0.016
8	Cl	-0.016

	x	y	z	Total
	0.000	0.000	0.237	0.237
CHELPG
AIM
ESP

	x	y	z
x	4.631	0.863	0.000
y	0.863	6.307	0.000
z	0.000	0.000	7.107

<r²>	256.548
(<r²>)^1/2	16.017