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	hartrees
Energy at 0K	-1194.911464
Energy at 298.15K	-1194.915212
HF Energy	-1194.911464
Nuclear repulsion energy	378.334214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3294	2999	0.00
2	A_g	1553	1414	0.00
3	A_g	1440	1311	0.00
4	A_g	1244	1132	0.00
5	A_g	1180	1074	0.00
6	A_g	895	815	0.00
7	A_g	561	511	0.00
8	A_g	406	370	0.00
9	A_g	288	263	0.00
10	A_u	3307	3010	10.33
11	A_u	1456	1326	23.49
12	A_u	1352	1230	50.12
13	A_u	1247	1136	289.15
14	A_u	833	758	257.00
15	A_u	436	397	3.24
16	A_u	406	369	30.79
17	A_u	185	168	0.97
18	A_u	80	73	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.002	0.000	-1.153
H4	-1.002	0.000	1.153
F5	-0.660	-1.070	-1.199
F6	0.660	1.070	1.199
Cl7	-0.815	1.457	-1.359
Cl8	0.815	-1.457	1.359

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5214	1.0760	2.1599	1.3313	2.3283	1.7732	2.6980
C2	1.5214		2.1599	1.0760	2.3283	1.3313	2.6980	1.7732
H3	1.0760	2.1599		3.0548	1.9770	2.6064	2.3378	2.9097
H4	2.1599	1.0760	3.0548		2.6064	1.9770	2.9097	2.3378
F5	1.3313	2.3283	1.9770	2.6064		3.4745	2.5366	2.9779
F6	2.3283	1.3313	2.6064	1.9770	3.4745		2.9779	2.5366
Cl7	1.7732	2.6980	2.3378	2.9097	2.5366	2.9779		4.3049
Cl8	2.6980	1.7732	2.9097	2.3378	2.9779	2.5366	4.3049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.368	C1	C2	F6	109.230
C1	C2	Cl8	109.720	C2	C1	H3	111.368
C2	C1	F5	109.230	C2	C1	Cl7	109.720
H3	C1	F5	109.968	H3	C1	Cl7	107.751
H4	C2	F6	109.968	H4	C2	Cl8	107.751
F5	C1	Cl7	108.757	F6	C2	Cl8	108.757

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

using model chemistry: HF/aug-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	0.368
2	C	0.368
3	H	0.346
4	H	0.346
5	F	-0.442
6	F	-0.442
7	Cl	-0.273
8	Cl	-0.273

	x	y	z
x	7.040	-1.057	0.833
y	-1.057	8.744	-1.334
z	0.833	-1.334	7.653

<r²>	253.810
(<r²>)^1/2	15.931