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	hartrees
Energy at 0K	-1191.387325
Energy at 298.15K	-1191.390518
HF Energy	-1191.387325
Nuclear repulsion energy	368.167408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3161	3030	0.00
2	A_g	1440	1380	0.00
3	A_g	1307	1253	0.00
4	A_g	1174	1126	0.00
5	A_g	1090	1045	0.00
6	A_g	765	733	0.00
7	A_g	494	474	0.00
8	A_g	343	328	0.00
9	A_g	256	245	0.00
10	A_u	3175	3044	0.89
11	A_u	1339	1283	22.40
12	A_u	1253	1201	41.50
13	A_u	1201	1151	172.03
14	A_u	720	690	217.78
15	A_u	356	341	10.35
16	A_u	329	315	34.13
17	A_u	153	146	3.22
18	A_u	54	51	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.755
C2	0.000	0.000	0.755
H3	1.006	0.000	-1.164
H4	-1.006	0.000	1.164
F5	-0.765	-1.049	-1.214
F6	0.765	1.049	1.214
Cl7	-0.780	1.607	-1.298
Cl8	0.780	-1.607	1.298

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5095	1.0860	2.1668	1.3776	2.3586	1.8674	2.7213
C2	1.5095		2.1668	1.0860	2.3586	1.3776	2.7213	1.8674
H3	1.0860	2.1668		3.0773	2.0592	2.6107	2.4064	2.9491
H4	2.1668	1.0860	3.0773		2.6107	2.0592	2.9491	2.4064
F5	1.3776	2.3586	2.0592	2.6107		3.5556	2.6580	3.0016
F6	2.3586	1.3776	2.6107	2.0592	3.5556		3.0016	2.6580
Cl7	1.8674	2.7213	2.4064	2.9491	2.6580	3.0016		4.4166
Cl8	2.7213	1.8674	2.9491	2.4064	3.0016	2.6580	4.4166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.166	C1	C2	F6	109.475
C1	C2	Cl8	106.905	C2	C1	H3	112.166
C2	C1	F5	109.475	C2	C1	Cl7	106.905
H3	C1	F5	112.879	H3	C1	Cl7	106.094
H4	C2	F6	112.879	H4	C2	Cl8	106.094
F5	C1	Cl7	109.056	F6	C2	Cl8	109.056

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

using model chemistry: M06-2X/3-21G

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	-0.072
2	C	-0.072
3	H	0.302
4	H	0.302
5	F	-0.266
6	F	-0.266
7	Cl	0.035
8	Cl	0.035

	x	y	z
x	4.341	-1.781	0.966
y	-1.781	7.902	-1.972
z	0.966	-1.972	4.620

<r²>	265.332
(<r²>)^1/2	16.289