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	hartrees
Energy at 0K	-1197.541577
Energy at 298.15K	-1197.544990
HF Energy	-1197.541577
Nuclear repulsion energy	376.552016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3141	3019	0.00
2	A_g	1401	1346	0.00
3	A_g	1287	1237	0.00
4	A_g	1151	1106	0.00
5	A_g	1095	1052	0.00
6	A_g	821	789	0.00
7	A_g	520	500	0.00
8	A_g	373	358	0.00
9	A_g	265	254	0.00
10	A_u	3152	3029	12.04
11	A_u	1309	1258	23.79
12	A_u	1208	1161	36.83
13	A_u	1162	1117	277.95
14	A_u	776	746	229.49
15	A_u	400	385	2.45
16	A_u	358	344	27.71
17	A_u	162	155	1.23
18	A_u	69	66	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	1.023	0.000	-1.155
H4	-1.023	0.000	1.155
F5	-0.671	-1.084	-1.204
F6	0.671	1.084	1.204
Cl7	-0.806	1.474	-1.343
Cl8	0.806	-1.474	1.343

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5203	1.0962	2.1713	1.3505	2.3422	1.7782	2.6915
C2	1.5203		2.1713	1.0962	2.3422	1.3505	2.6915	1.7782
H3	1.0962	2.1713		3.0856	2.0118	2.6206	2.3564	2.9084
H4	2.1713	1.0962	3.0856		2.6206	2.0118	2.9084	2.3564
F5	1.3505	2.3422	2.0118	2.6206		3.5083	2.5656	2.9703
F6	2.3422	1.3505	2.6206	2.0118	3.5083		2.9703	2.5656
Cl7	1.7782	2.6915	2.3564	2.9084	2.5656	2.9703		4.3013
Cl8	2.6915	1.7782	2.9084	2.3564	2.9703	2.5656	4.3013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.127	C1	C2	F6	109.204
C1	C2	Cl8	109.121	C2	C1	H3	111.127
C2	C1	F5	109.204	C2	C1	Cl7	109.121
H3	C1	F5	110.187	H3	C1	Cl7	107.755
H4	C2	F6	110.187	H4	C2	Cl8	107.755
F5	C1	Cl7	109.415	F6	C2	Cl8	109.415

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

using model chemistry: B1B95/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	0.154
2	C	0.154
3	H	0.092
4	H	0.092
5	F	-0.175
6	F	-0.175
7	Cl	-0.071
8	Cl	-0.071

	x	y	z
x	5.178	-1.432	0.827
y	-1.432	7.482	-1.606
z	0.827	-1.606	5.773

<r²>	253.975
(<r²>)^1/2	15.937