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	hartrees
Energy at 0K	-1197.663910
Energy at 298.15K	-1197.667305
HF Energy	-1197.663910
Nuclear repulsion energy	373.990716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3114	3010	0.00
2	A_g	1397	1351	0.00
3	A_g	1298	1255	0.00
4	A_g	1113	1076	0.00
5	A_g	1066	1030	0.00
6	A_g	798	772	0.00
7	A_g	514	496	0.00
8	A_g	364	352	0.00
9	A_g	264	255	0.00
10	A_u	3127	3022	9.71
11	A_u	1322	1278	10.44
12	A_u	1226	1185	36.33
13	A_u	1112	1075	254.43
14	A_u	742	718	234.07
15	A_u	394	381	1.82
16	A_u	370	358	26.19
17	A_u	170	164	0.91
18	A_u	69	66	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.010	0.000	-1.163
H4	-1.010	0.000	1.163
F5	-0.676	-1.089	-1.212
F6	0.676	1.089	1.212
Cl7	-0.818	1.483	-1.358
Cl8	0.818	-1.483	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5255	1.0869	2.1751	1.3583	2.3545	1.7945	2.7134
C2	1.5255		2.1751	1.0869	2.3545	1.3583	2.7134	1.7945
H3	1.0869	2.1751		3.0818	2.0080	2.6347	2.3616	2.9311
H4	2.1751	1.0869	3.0818		2.6347	2.0080	2.9311	2.3616
F5	1.3583	2.3545	2.0080	2.6347		3.5285	2.5794	2.9985
F6	2.3545	1.3583	2.6347	2.0080	3.5285		2.9985	2.5794
Cl7	1.7945	2.7134	2.3616	2.9311	2.5794	2.9985		4.3404
Cl8	2.7134	1.7945	2.9311	2.3616	2.9985	2.5794	4.3404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.633	C1	C2	F6	109.329
C1	C2	Cl8	109.360	C2	C1	H3	111.633
C2	C1	F5	109.329	C2	C1	Cl7	109.360
H3	C1	F5	109.918	H3	C1	Cl7	107.535
H4	C2	F6	109.918	H4	C2	Cl8	107.535
F5	C1	Cl7	109.015	F6	C2	Cl8	109.015

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

using model chemistry: B3LYP/cc-pVTZ

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	0.194
2	C	0.194
3	H	0.111
4	H	0.111
5	F	-0.180
6	F	-0.180
7	Cl	-0.125
8	Cl	-0.125

	x	y	z
x	6.270	-1.393	0.948
y	-1.393	8.653	-1.655
z	0.948	-1.655	7.089

<r²>	257.974
(<r²>)^1/2	16.062