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	hartrees
Energy at 0K	-1181.202462
Energy at 298.15K	-1181.205775
HF Energy	-1181.202462
Nuclear repulsion energy	367.587454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3601	2941	0.00
2	A_g	1647	1345	0.00
3	A_g	1491	1217	0.00
4	A_g	1351	1103	0.00
5	A_g	1211	989	0.00
6	A_g	957	781	0.00
7	A_g	555	453	0.00
8	A_g	401	327	0.00
9	A_g	267	218	0.00
10	A_u	3604	2943	2.60
11	A_u	1525	1245	52.73
12	A_u	1394	1139	56.31
13	A_u	1362	1112	59.80
14	A_u	924	754	148.34
15	A_u	418	341	10.70
16	A_u	395	323	28.67
17	A_u	157	128	3.18
18	A_u	56	46	2.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.788
C2	0.000	0.000	0.788
H3	1.035	0.000	-1.168
H4	-1.035	0.000	1.168
F5	-0.709	-1.062	-1.274
F6	0.709	1.062	1.274
Cl7	-0.764	1.566	-1.346
Cl8	0.764	-1.566	1.346

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5756	1.1026	2.2129	1.3662	2.4254	1.8295	2.7548
C2	1.5756		2.2129	1.1026	2.4254	1.3662	2.7548	1.8295
H3	1.1026	2.2129		3.1214	2.0442	2.6834	2.3917	2.9742
H4	2.2129	1.1026	3.1214		2.6834	2.0442	2.9742	2.3917
F5	1.3662	2.4254	2.0442	2.6834		3.6077	2.6291	3.0480
F6	2.4254	1.3662	2.6834	2.0442	3.6077		3.0480	2.6291
Cl7	1.8295	2.7548	2.3917	2.9742	2.6291	3.0480		4.4034
Cl8	2.7548	1.8295	2.9742	2.3917	3.0480	2.6291	4.4034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.181	C1	C2	F6	110.866
C1	C2	Cl8	107.765	C2	C1	H3	110.181
C2	C1	F5	110.866	C2	C1	Cl7	107.765
H3	C1	F5	111.343	H3	C1	Cl7	106.670
H4	C2	F6	111.343	H4	C2	Cl8	106.670
F5	C1	Cl7	109.865	F6	C2	Cl8	109.865

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

using model chemistry: HF/STO-3G

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	0.149
2	C	0.149
3	H	0.117
4	H	0.117
5	F	-0.102
6	F	-0.102
7	Cl	-0.164
8	Cl	-0.164

	x	y	z
x	2.327	-1.054	0.642
y	-1.054	4.592	-1.098
z	0.642	-1.098	2.385

<r²>	264.493
(<r²>)^1/2	16.263