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	hartrees
Energy at 0K	-1196.847272
Energy at 298.15K	-1196.850530
HF Energy	-1196.847272
Nuclear repulsion energy	371.797565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3027	3010	0.00
2	A_g	1335	1327	0.00
3	A_g	1226	1219	0.00
4	A_g	1087	1081	0.00
5	A_g	1038	1032	0.00
6	A_g	770	766	0.00
7	A_g	498	495	0.00
8	A_g	353	351	0.00
9	A_g	258	257	0.00
10	A_u	3038	3021	15.07
11	A_u	1252	1245	15.37
12	A_u	1155	1148	35.02
13	A_u	1097	1091	260.87
14	A_u	723	719	236.18
15	A_u	382	380	1.44
16	A_u	350	348	25.26
17	A_u	163	162	1.20
18	A_u	66	65	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.033	0.000	-1.171
H4	-1.033	0.000	1.171
F5	-0.689	-1.088	-1.224
F6	0.689	1.088	1.224
Cl7	-0.804	1.508	-1.350
Cl8	0.804	-1.508	1.350

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5346	1.1085	2.1959	1.3667	2.3718	1.8054	2.7210
C2	1.5346		2.1959	1.1085	2.3718	1.3667	2.7210	1.8054
H3	1.1085	2.1959		3.1219	2.0374	2.6529	2.3830	2.9462
H4	2.1959	1.1085	3.1219		2.6529	2.0374	2.9462	2.3830
F5	1.3667	2.3718	2.0374	2.6529		3.5541	2.6014	3.0057
F6	2.3718	1.3667	2.6529	2.0374	3.5541		3.0057	2.6014
Cl7	1.8054	2.7210	2.3830	2.9462	2.6014	3.0057		4.3557
Cl8	2.7210	1.8054	2.9462	2.3830	3.0057	2.6014	4.3557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.336	C1	C2	F6	109.536
C1	C2	Cl8	108.839	C2	C1	H3	111.336
C2	C1	F5	109.536	C2	C1	Cl7	108.839
H3	C1	F5	110.363	H3	C1	Cl7	107.300
H4	C2	F6	110.363	H4	C2	Cl8	107.300
F5	C1	Cl7	109.412	F6	C2	Cl8	109.412

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.121
2	C	0.121
3	H	0.087
4	H	0.087
5	F	-0.139
6	F	-0.139
7	Cl	-0.069
8	Cl	-0.069

	x	y	z
x	5.378	-1.501	0.884
y	-1.501	7.991	-1.765
z	0.884	-1.765	6.135

<r²>	259.740
(<r²>)^1/2	16.116