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	hartrees
Energy at 0K	-1194.721735
Energy at 298.15K	-1194.725511
HF Energy	-1194.721735
Nuclear repulsion energy	379.477890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3328	3004	1.47
2	A	1559	1407	12.97
3	A	1440	1299	29.98
4	A	1259	1137	233.00
5	A	1185	1069	73.71
6	A	914	825	97.47
7	A	496	448	1.39
8	A	343	310	1.75
9	A	179	161	0.85
10	A	88	79	0.90
11	B	3339	3014	15.83
12	B	1487	1342	10.36
13	B	1363	1230	44.49
14	B	1230	1110	28.05
15	B	905	817	149.36
16	B	472	426	16.35
17	B	424	383	9.20
18	B	365	329	15.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.223	0.727	0.389
C2	0.223	-0.727	0.389
H3	-1.296	0.810	0.346
H4	1.296	-0.810	0.346
F5	0.223	1.269	1.533
F6	-0.223	-1.269	1.533
Cl7	0.465	1.622	-0.969
Cl8	-0.465	-1.622	-0.969

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5213	1.0774	2.1620	1.3422	2.3012	1.7657	2.7243
C2	1.5213		2.1620	1.0774	2.3012	1.3422	2.7243	1.7657
H3	1.0774	2.1620		3.0575	1.9818	2.6242	2.3431	2.8873
H4	2.1620	1.0774	3.0575		2.6242	1.9818	2.8873	2.3431
F5	1.3422	2.3012	1.9818	2.6242		2.5777	2.5381	3.8850
F6	2.3012	1.3422	2.6242	1.9818	2.5777		3.8850	2.5381
Cl7	1.7657	2.7243	2.3431	2.8873	2.5381	3.8850		3.3748
Cl8	2.7243	1.7657	2.8873	2.3431	3.8850	2.5381	3.3748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.449	C1	C2	F6	106.789
C1	C2	Cl8	111.735	C2	C1	H3	111.449
C2	C1	F5	106.789	C2	C1	Cl7	111.735
H3	C1	F5	109.495	H3	C1	Cl7	108.573
H4	C2	F6	109.495	H4	C2	Cl8	108.573
F5	C1	Cl7	108.742	F6	C2	Cl8	108.742

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	0.195
2	C	0.195
3	H	0.192
4	H	0.192
5	F	-0.356
6	F	-0.356
7	Cl	-0.030
8	Cl	-0.030

	x	y	z	Total
	0.000	0.000	-0.305	0.305
CHELPG
AIM
ESP

	x	y	z
x	4.765	0.739	0.000
y	0.739	5.971	0.000
z	0.000	0.000	6.353

<r²>	244.949
(<r²>)^1/2	15.651