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	hartrees
Energy at 0K	-1197.061008
Energy at 298.15K	-1197.064491
HF Energy	-1197.061008
Nuclear repulsion energy	376.314977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3140	3016	0.00
2	A_g	1412	1356	0.00
3	A_g	1322	1269	0.00
4	A_g	1140	1095	0.00
5	A_g	1093	1050	0.00
6	A_g	832	799	0.00
7	A_g	524	503	0.00
8	A_g	377	362	0.00
9	A_g	272	261	0.00
10	A_u	3152	3027	12.75
11	A_u	1332	1279	22.38
12	A_u	1241	1192	39.16
13	A_u	1145	1099	279.73
14	A_u	779	748	247.10
15	A_u	407	391	2.59
16	A_u	370	356	30.03
17	A_u	173	166	1.47
18	A_u	72	69	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.016	0.000	-1.155
H4	-1.016	0.000	1.155
F5	-0.668	-1.089	-1.205
F6	0.668	1.089	1.205
Cl7	-0.814	1.465	-1.352
Cl8	0.814	-1.465	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5221	1.0901	2.1692	1.3523	2.3446	1.7771	2.6972
C2	1.5221		2.1692	1.0901	2.3446	1.3523	2.6972	1.7771
H3	1.0901	2.1692		3.0775	2.0063	2.6225	2.3525	2.9114
H4	2.1692	1.0901	3.0775		2.6225	2.0063	2.9114	2.3525
F5	1.3523	2.3446	2.0063	2.6225		3.5121	2.5620	2.9797
F6	2.3446	1.3523	2.6225	2.0063	3.5121		2.9797	2.5620
Cl7	1.7771	2.6972	2.3525	2.9114	2.5620	2.9797		4.3069
Cl8	2.6972	1.7771	2.9114	2.3525	2.9797	2.5620	4.3069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.211	C1	C2	F6	109.164
C1	C2	Cl8	109.434	C2	C1	H3	111.211
C2	C1	F5	109.164	C2	C1	Cl7	109.434
H3	C1	F5	109.997	H3	C1	Cl7	107.853
H4	C2	F6	109.997	H4	C2	Cl8	107.853
F5	C1	Cl7	109.149	F6	C2	Cl8	109.149

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

using model chemistry: HSEh1PBE/6-311G**

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	0.035
2	C	0.035
3	H	0.202
4	H	0.202
5	F	-0.196
6	F	-0.196
7	Cl	-0.041
8	Cl	-0.041

	x	y	z
x	5.306	-1.629	0.954
y	-1.629	7.873	-1.805
z	0.954	-1.805	6.029

<r²>	255.203
(<r²>)^1/2	15.975