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	hartrees
Energy at 0K	-1191.555939
Energy at 298.15K	-1191.559049
HF Energy	-1191.555939
Nuclear repulsion energy	364.418348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3183	3071	0.00
2	A_g	1427	1377	0.00
3	A_g	1285	1239	0.00
4	A_g	1143	1103	0.00
5	A_g	1051	1014	0.00
6	A_g	719	694	0.00
7	A_g	485	468	0.00
8	A_g	322	311	0.00
9	A_g	249	240	0.00
10	A_u	3197	3085	4.06
11	A_u	1331	1284	14.04
12	A_u	1232	1188	42.40
13	A_u	1163	1122	186.16
14	A_u	666	643	237.06
15	A_u	347	335	17.39
16	A_u	331	319	24.73
17	A_u	155	149	3.43
18	A_u	64	62	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.756
C2	0.000	0.000	0.756
H3	1.003	0.000	-1.171
H4	-1.003	0.000	1.171
F5	-0.788	-1.020	-1.238
F6	0.788	1.020	1.238
Cl7	-0.751	1.672	-1.288
Cl8	0.751	-1.672	1.288

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5112	1.0860	2.1721	1.3761	2.3739	1.9090	2.7456
C2	1.5112		2.1721	1.0860	2.3739	1.3761	2.7456	1.9090
H3	1.0860	2.1721		3.0840	2.0624	2.6247	2.4266	2.9846
H4	2.1721	1.0860	3.0840		2.6247	2.0624	2.9846	2.4266
F5	1.3761	2.3739	2.0624	2.6247		3.5741	2.6929	3.0292
F6	2.3739	1.3761	2.6247	2.0624	3.5741		3.0292	2.6929
Cl7	1.9090	2.7456	2.4266	2.9846	2.6929	3.0292		4.4812
Cl8	2.7456	1.9090	2.9846	2.4266	3.0292	2.6929	4.4812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.476	C1	C2	F6	110.523
C1	C2	Cl8	106.201	C2	C1	H3	112.476
C2	C1	F5	110.523	C2	C1	Cl7	106.201
H3	C1	F5	113.267	H3	C1	Cl7	104.880
H4	C2	F6	113.267	H4	C2	Cl8	104.880
F5	C1	Cl7	109.040	F6	C2	Cl8	109.040

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

using model chemistry: B3LYP/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	-0.049
2	C	-0.049
3	H	0.290
4	H	0.290
5	F	-0.237
6	F	-0.237
7	Cl	-0.003
8	Cl	-0.003

	x	y	z
x	4.328	-1.787	1.000
y	-1.787	8.468	-2.152
z	1.000	-2.152	4.846

<r²>	270.748
(<r²>)^1/2	16.454