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	hartrees
Energy at 0K	-1197.473077
Energy at 298.15K	-1197.476476
HF Energy	-1197.473077
Nuclear repulsion energy	373.237916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3131	3008	0.00
2	A_g	1415	1359	0.00
3	A_g	1322	1270	0.00
4	A_g	1133	1089	0.00
5	A_g	1085	1042	0.00
6	A_g	807	775	0.00
7	A_g	516	496	0.00
8	A_g	365	351	0.00
9	A_g	267	257	0.00
10	A_u	3142	3018	14.70
11	A_u	1337	1284	25.74
12	A_u	1241	1192	43.26
13	A_u	1148	1103	246.60
14	A_u	746	717	242.25
15	A_u	393	378	2.22
16	A_u	369	354	29.70
17	A_u	171	164	1.50
18	A_u	75	72	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.016	0.000	-1.163
H4	-1.016	0.000	1.163
F5	-0.685	-1.085	-1.210
F6	0.685	1.085	1.210
Cl7	-0.811	1.495	-1.357
Cl8	0.811	-1.495	1.357

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5296	1.0915	2.1791	1.3583	2.3554	1.8012	2.7195
C2	1.5296		2.1791	1.0915	2.3554	1.3583	2.7195	1.8012
H3	1.0915	2.1791		3.0887	2.0185	2.6304	2.3693	2.9371
H4	2.1791	1.0915	3.0887		2.6304	2.0185	2.9371	2.3693
F5	1.3583	2.3554	2.0185	2.6304		3.5279	2.5874	2.9998
F6	2.3554	1.3583	2.6304	2.0185	3.5279		2.9998	2.5874
Cl7	1.8012	2.7195	2.3693	2.9371	2.5874	2.9998		4.3520
Cl8	2.7195	1.8012	2.9371	2.3693	2.9998	2.5874	4.3520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.385	C1	C2	F6	109.150
C1	C2	Cl8	109.191	C2	C1	H3	111.385
C2	C1	F5	109.150	C2	C1	Cl7	109.191
H3	C1	F5	110.490	H3	C1	Cl7	107.432
H4	C2	F6	110.490	H4	C2	Cl8	107.432
F5	C1	Cl7	109.147	F6	C2	Cl8	109.147

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

using model chemistry: B3LYPultrafine/6-31G**

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	0.112
2	C	0.112
3	H	0.172
4	H	0.172
5	F	-0.253
6	F	-0.253
7	Cl	-0.031
8	Cl	-0.031

	x	y	z
x	5.352	-1.475	0.933
y	-1.475	7.751	-1.722
z	0.933	-1.722	5.924

<r²>	258.642
(<r²>)^1/2	16.082