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	hartrees
Energy at 0K	-1181.200452
Energy at 298.15K	-1181.203787
HF Energy	-1181.200452
Nuclear repulsion energy	369.025086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3602	2941	0.31
2	A	1624	1326	5.66
3	A	1477	1206	52.02
4	A	1353	1105	52.13
5	A	1205	984	6.00
6	A	956	780	37.81
7	A	504	412	3.40
8	A	295	241	0.26
9	A	157	128	0.90
10	A	62	51	1.62
11	B	3605	2944	1.85
12	B	1553	1268	13.10
13	B	1392	1137	49.44
14	B	1360	1111	3.48
15	B	967	790	85.05
16	B	464	379	15.26
17	B	413	338	9.99
18	B	348	285	15.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.209	0.761	0.417
C2	0.209	-0.761	0.417
H3	-1.301	0.858	0.298
H4	1.301	-0.858	0.298
F5	0.209	1.343	1.584
F6	-0.209	-1.343	1.584
Cl7	0.560	1.608	-1.003
Cl8	-0.560	-1.608	-1.003

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5789	1.1025	2.2177	1.3695	2.4060	1.8241	2.7843
C2	1.5789		2.2177	1.1025	2.4060	1.3695	2.7843	1.8241
H3	1.1025	2.2177		3.1173	2.0424	2.7733	2.3916	2.8848
H4	2.2177	1.1025	3.1173		2.7733	2.0424	2.8848	2.3916
F5	1.3695	2.4060	2.0424	2.7733		2.7184	2.6246	3.9992
F6	2.4060	1.3695	2.7733	2.0424	2.7184		3.9992	2.6246
Cl7	1.8241	2.7843	2.3916	2.8848	2.6246	3.9992		3.4048
Cl8	2.7843	1.8241	2.8848	2.3916	3.9992	2.6246	3.4048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.340	C1	C2	F6	109.173
C1	C2	Cl8	109.598	C2	C1	H3	110.340
C2	C1	F5	109.173	C2	C1	Cl7	109.598
H3	C1	F5	110.968	H3	C1	Cl7	107.015
H4	C2	F6	110.968	H4	C2	Cl8	107.015
F5	C1	Cl7	109.718	F6	C2	Cl8	109.718

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

using model chemistry: HF/STO-3G

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	0.145
2	C	0.145
3	H	0.117
4	H	0.117
5	F	-0.107
6	F	-0.107
7	Cl	-0.155
8	Cl	-0.155

	x	y	z	Total
	0.000	0.000	1.720	1.720
CHELPG
AIM
ESP

	x	y	z
x	2.203	0.745	0.000
y	0.745	2.864	0.000
z	0.000	0.000	3.978

<r²>	254.276
(<r²>)^1/2	15.946