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	hartrees
Energy at 0K	-1197.497435
Energy at 298.15K	-1197.500919
HF Energy	-1197.497435
Nuclear repulsion energy	375.371010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3148	3011	0.00
2	A_g	1415	1353	0.00
3	A_g	1324	1266	0.00
4	A_g	1136	1087	0.00
5	A_g	1091	1043	0.00
6	A_g	835	799	0.00
7	A_g	523	500	0.00
8	A_g	378	362	0.00
9	A_g	272	260	0.00
10	A_u	3159	3022	12.82
11	A_u	1333	1275	21.43
12	A_u	1246	1192	43.32
13	A_u	1141	1091	285.74
14	A_u	781	747	243.72
15	A_u	408	390	3.00
16	A_u	376	359	30.71
17	A_u	174	167	1.60
18	A_u	67	64	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.015	0.000	-1.159
H4	-1.015	0.000	1.159
F5	-0.669	-1.089	-1.208
F6	0.669	1.089	1.208
Cl7	-0.817	1.468	-1.360
Cl8	0.817	-1.468	1.360

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5274	1.0893	2.1745	1.3527	2.3492	1.7828	2.7081
C2	1.5274		2.1745	1.0893	2.3492	1.3527	2.7081	1.7828
H3	1.0893	2.1745		3.0817	2.0057	2.6282	2.3561	2.9229
H4	2.1745	1.0893	3.0817		2.6282	2.0057	2.9229	2.3561
F5	1.3527	2.3492	2.0057	2.6282		3.5162	2.5654	2.9911
F6	2.3492	1.3527	2.6282	2.0057	3.5162		2.9911	2.5654
Cl7	1.7828	2.7081	2.3561	2.9229	2.5654	2.9911		4.3234
Cl8	2.7081	1.7828	2.9229	2.3561	2.9911	2.5654	4.3234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.303	C1	C2	F6	109.158
C1	C2	Cl8	109.553	C2	C1	H3	111.303
C2	C1	F5	109.158	C2	C1	Cl7	109.553
H3	C1	F5	109.973	H3	C1	Cl7	107.780
H4	C2	F6	109.973	H4	C2	Cl8	107.780
F5	C1	Cl7	109.037	F6	C2	Cl8	109.037

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

using model chemistry: wB97X-D/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	0.045
2	C	0.045
3	H	0.198
4	H	0.198
5	F	-0.199
6	F	-0.199
7	Cl	-0.044
8	Cl	-0.044

	x	y	z
x	5.272	-1.622	0.945
y	-1.622	7.814	-1.775
z	0.945	-1.775	5.939

<r²>	256.615
(<r²>)^1/2	16.019