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	hartrees
Energy at 0K	-1194.578610
Energy at 298.15K	-1194.582202
HF Energy	-1194.578610
Nuclear repulsion energy	371.350083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3399	3069	1.10
2	A	1540	1391	3.45
3	A	1414	1277	26.24
4	A	1245	1124	69.96
5	A	1147	1035	170.76
6	A	853	770	90.47
7	A	460	416	2.06
8	A	324	293	2.44
9	A	172	155	1.67
10	A	82	74	1.49
11	B	3411	3080	1.34
12	B	1456	1314	8.23
13	B	1362	1230	38.97
14	B	1159	1046	16.17
15	B	837	756	151.80
16	B	443	400	24.87
17	B	397	358	14.22
18	B	353	319	21.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	0.714	0.409
C2	0.239	-0.714	0.409
H3	-1.305	0.803	0.382
H4	1.305	-0.803	0.382
F5	0.239	1.299	1.572
F6	-0.239	-1.299	1.572
Cl7	0.451	1.653	-0.999
Cl8	-0.451	-1.653	-0.999

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5061	1.0705	2.1649	1.3866	2.3246	1.8281	2.7628
C2	1.5061		2.1649	1.0705	2.3246	1.3866	2.7628	1.8281
H3	1.0705	2.1649		3.0650	2.0116	2.6398	2.3915	2.9444
H4	2.1649	1.0705	3.0650		2.6398	2.0116	2.9444	2.3915
F5	1.3866	2.3246	2.0116	2.6398		2.6407	2.6045	3.9752
F6	2.3246	1.3866	2.6398	2.0116	2.6407		3.9752	2.6045
Cl7	1.8281	2.7628	2.3915	2.9444	2.6045	3.9752		3.4273
Cl8	2.7628	1.8281	2.9444	2.3915	3.9752	2.6045	3.4273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.234	C1	C2	F6	106.880
C1	C2	Cl8	111.549	C2	C1	H3	113.234
C2	C1	F5	106.880	C2	C1	Cl7	111.549
H3	C1	F5	109.232	H3	C1	Cl7	108.333
H4	C2	F6	109.232	H4	C2	Cl8	108.333
F5	C1	Cl7	107.436	F6	C2	Cl8	107.436

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

using model chemistry: HF/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	0.062
2	C	0.062
3	H	0.271
4	H	0.271
5	F	-0.393
6	F	-0.393
7	Cl	0.061
8	Cl	0.061

	x	y	z	Total
	0.000	0.000	-0.772	0.772
CHELPG
AIM
ESP

	x	y	z
x	4.104	1.018	0.000
y	1.018	5.535	0.000
z	0.000	0.000	6.561

<r²>	255.092
(<r²>)^1/2	15.972