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	hartrees
Energy at 0K	-1182.942869
Energy at 298.15K	-1182.945591
HF Energy	-1182.942869
Nuclear repulsion energy	358.565896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3190	2915	0.00
2	A_g	1442	1317	0.00
3	A_g	1256	1147	0.00
4	A_g	1216	1111	0.00
5	A_g	983	898	0.00
6	A_g	771	704	0.00
7	A_g	490	447	0.00
8	A_g	337	308	0.00
9	A_g	226	207	0.00
10	A_u	3198	2922	5.65
11	A_u	1350	1233	53.95
12	A_u	1244	1137	84.11
13	A_u	1182	1080	42.55
14	A_u	733	670	157.99
15	A_u	366	335	5.49
16	A_u	340	311	17.95
17	A_u	134	123	4.78
18	A_u	38	34	3.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.808
C2	0.000	0.000	0.808
H3	1.057	0.000	-1.203
H4	-1.057	0.000	1.203
F5	-0.759	-1.022	-1.328
F6	0.759	1.022	1.328
Cl7	-0.707	1.699	-1.310
Cl8	0.707	-1.699	1.310

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6160	1.1282	2.2715	1.3750	2.4864	1.9080	2.8063
C2	1.6160		2.2715	1.1282	2.4864	1.3750	2.8063	1.9080
H3	1.1282	2.2715		3.2022	2.0873	2.7454	2.4520	3.0537
H4	2.2715	1.1282	3.2022		2.7454	2.0873	3.0537	2.4520
F5	1.3750	2.4864	2.0873	2.7454		3.6789	2.7223	3.0929
F6	2.4864	1.3750	2.7454	2.0873	3.6789		3.0929	2.7223
Cl7	1.9080	2.8063	2.4520	3.0537	2.7223	3.0929		4.5189
Cl8	2.8063	1.9080	3.0537	2.4520	3.0929	2.7223	4.5189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.476	C1	C2	F6	112.208
C1	C2	Cl8	105.262	C2	C1	H3	110.476
C2	C1	F5	112.208	C2	C1	Cl7	105.262
H3	C1	F5	112.616	H3	C1	Cl7	104.788
H4	C2	F6	112.616	H4	C2	Cl8	104.788
F5	C1	Cl7	110.991	F6	C2	Cl8	110.991

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

using model chemistry: PBEPBE/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	0.067
2	C	0.067
3	H	0.121
4	H	0.121
5	F	-0.005
6	F	-0.005
7	Cl	-0.183
8	Cl	-0.183

	x	y	z
x	2.395	-0.990	0.711
y	-0.990	5.666	-1.183
z	0.711	-1.183	2.788

<r²>	275.661
(<r²>)^1/2	16.603