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	hartrees
Energy at 0K	-1183.477086
Energy at 298.15K	-1183.480021
HF Energy	-1183.477086
Nuclear repulsion energy	362.891601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3303	2923	0.48
2	A	1446	1280	15.68
3	A	1318	1167	22.00
4	A	1243	1100	111.19
5	A	1035	916	3.00
6	A	836	740	49.50
7	A	453	401	6.71
8	A	268	237	0.14
9	A	139	123	0.66
10	A	52	46	1.32
11	B	3309	2929	0.47
12	B	1404	1242	11.44
13	B	1247	1104	33.07
14	B	1245	1102	0.99
15	B	831	735	74.48
16	B	438	388	11.69
17	B	375	332	5.13
18	B	297	263	11.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.190	0.780	0.421
C2	0.190	-0.780	0.421
H3	-1.283	0.918	0.220
H4	1.283	-0.918	0.220
F5	0.190	1.358	1.613
F6	-0.190	-1.358	1.613
Cl7	0.694	1.592	-1.015
Cl8	-0.694	-1.592	-1.015

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6063	1.1200	2.2571	1.3770	2.4476	1.8718	2.8187
C2	1.6063		2.2571	1.1200	2.4476	1.3770	2.8187	1.8718
H3	1.1200	2.2571		3.1552	2.0740	2.8837	2.4264	2.8585
H4	2.2571	1.1200	3.1552		2.8837	2.0740	2.8585	2.4264
F5	1.3770	2.4476	2.0740	2.8837		2.7417	2.6862	4.0479
F6	2.4476	1.3770	2.8837	2.0740	2.7417		4.0479	2.6862
Cl7	1.8718	2.8187	2.4264	2.8585	2.6862	4.0479		3.4729
Cl8	2.8187	1.8718	2.8585	2.4264	4.0479	2.6862	3.4729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.500	C1	C2	F6	110.013
C1	C2	Cl8	108.029	C2	C1	H3	110.500
C2	C1	F5	110.013	C2	C1	Cl7	108.029
H3	C1	F5	111.905	H3	C1	Cl7	105.622
H4	C2	F6	111.905	H4	C2	Cl8	105.622
F5	C1	Cl7	110.624	F6	C2	Cl8	110.624

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

using model chemistry: B3PW91/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	0.080
2	C	0.080
3	H	0.126
4	H	0.126
5	F	-0.043
6	F	-0.043
7	Cl	-0.163
8	Cl	-0.163

	x	y	z	Total
	0.000	0.000	2.382	2.382
CHELPG
AIM
ESP

	x	y	z
x	2.419	0.852	0.000
y	0.852	3.063	0.000
z	0.000	0.000	4.445

<r²>	261.057
(<r²>)^1/2	16.157