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	hartrees
Energy at 0K	-1197.021040
Energy at 298.15K	-1197.024485
HF Energy	-1197.021040
Nuclear repulsion energy	375.345429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3143	3024	0.00
2	A_g	1387	1334	0.00
3	A_g	1287	1238	0.00
4	A_g	1134	1091	0.00
5	A_g	1077	1036	0.00
6	A_g	826	795	0.00
7	A_g	517	498	0.00
8	A_g	373	359	0.00
9	A_g	268	258	0.00
10	A_u	3155	3035	7.39
11	A_u	1297	1248	10.67
12	A_u	1210	1165	30.06
13	A_u	1119	1077	251.40
14	A_u	782	753	223.67
15	A_u	399	384	2.73
16	A_u	368	354	25.64
17	A_u	169	163	0.67
18	A_u	72	69	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.018	0.000	-1.168
H4	-1.018	0.000	1.168
F5	-0.669	-1.100	-1.205
F6	0.669	1.100	1.205
Cl7	-0.830	1.458	-1.354
Cl8	0.830	-1.458	1.354

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5235	1.0963	2.1816	1.3617	2.3509	1.7790	2.7001
C2	1.5235		2.1816	1.0963	2.3509	1.3617	2.7001	1.7790
H3	1.0963	2.1816		3.0986	2.0148	2.6385	2.3613	2.9189
H4	2.1816	1.0963	3.0986		2.6385	2.0148	2.9189	2.3613
F5	1.3617	2.3509	2.0148	2.6385		3.5271	2.5672	2.9875
F6	2.3509	1.3617	2.6385	2.0148	3.5271		2.9875	2.5672
Cl7	1.7790	2.7001	2.3613	2.9189	2.5672	2.9875		4.3116
Cl8	2.7001	1.7790	2.9189	2.3613	2.9875	2.5672	4.3116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.724	C1	C2	F6	109.004
C1	C2	Cl8	109.449	C2	C1	H3	111.724
C2	C1	F5	109.004	C2	C1	Cl7	109.449
H3	C1	F5	109.634	H3	C1	Cl7	108.061
H4	C2	F6	109.634	H4	C2	Cl8	108.061
F5	C1	Cl7	108.925	F6	C2	Cl8	108.925

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

using model chemistry: HSEh1PBE/aug-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	0.563
2	C	0.563
3	H	-0.071
4	H	-0.071
5	F	-0.419
6	F	-0.419
7	Cl	-0.072
8	Cl	-0.072

	x	y	z
x	7.459	-1.122	0.960
y	-1.122	9.434	-1.442
z	0.960	-1.442	8.202

<r²>	255.927
(<r²>)^1/2	15.998