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	hartrees
Energy at 0K	-1193.896432
Energy at 298.15K	-1193.899780
HF Energy	-1193.896432
Nuclear repulsion energy	377.715196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3008	2975	0.00
2	A_g	1342	1328	0.00
3	A_g	1215	1202	0.00
4	A_g	1130	1117	0.00
5	A_g	1081	1069	0.00
6	A_g	797	788	0.00
7	A_g	514	508	0.00
8	A_g	366	362	0.00
9	A_g	264	261	0.00
10	A_u	3020	2987	11.86
11	A_u	1243	1230	29.74
12	A_u	1164	1151	217.04
13	A_u	1138	1126	58.10
14	A_u	764	756	220.87
15	A_u	393	389	2.08
16	A_u	347	343	25.31
17	A_u	164	163	1.16
18	A_u	69	68	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.756
C2	0.000	0.000	0.756
H3	1.041	0.000	-1.148
H4	-1.041	0.000	1.148
F5	-0.678	-1.071	-1.206
F6	0.678	1.071	1.206
Cl7	-0.789	1.492	-1.315
Cl8	0.789	-1.492	1.315

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5120	1.1122	2.1702	1.3452	2.3359	1.7774	2.6710
C2	1.5120		2.1702	1.1122	2.3359	1.3452	2.6710	1.7774
H3	1.1122	2.1702		3.0996	2.0261	2.6118	2.3664	2.8904
H4	2.1702	1.1122	3.0996		2.6118	2.0261	2.8904	2.3664
F5	1.3452	2.3359	2.0261	2.6118		3.4994	2.5671	2.9467
F6	2.3359	1.3452	2.6118	2.0261	3.4994		2.9467	2.5671
Cl7	1.7774	2.6710	2.3664	2.8904	2.5671	2.9467		4.2779
Cl8	2.6710	1.7774	2.8904	2.3664	2.9467	2.5671	4.2779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.662	C1	C2	F6	109.546
C1	C2	Cl8	108.315	C2	C1	H3	110.662
C2	C1	F5	109.546	C2	C1	Cl7	108.315
H3	C1	F5	110.720	H3	C1	Cl7	107.726
H4	C2	F6	110.720	H4	C2	Cl8	107.726
F5	C1	Cl7	109.821	F6	C2	Cl8	109.821

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

using model chemistry: LSDA/cc-pVDZ

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	0.042
2	C	0.042
3	H	0.116
4	H	0.116
5	F	-0.109
6	F	-0.109
7	Cl	-0.049
8	Cl	-0.049

	x	y	z
x	5.349	-1.457	0.773
y	-1.457	7.782	-1.682
z	0.773	-1.682	6.004

<r²>	251.920
(<r²>)^1/2	15.872