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	hartrees
Energy at 0K	-1183.593401
Energy at 298.15K	-1183.596377
HF Energy	-1183.593401
Nuclear repulsion energy	361.996592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3318	3318	0.00
2	A_g	1494	1494	0.00
3	A_g	1337	1337	0.00
4	A_g	1244	1244	0.00
5	A_g	1058	1058	0.00
6	A_g	849	849	0.00
7	A_g	513	513	0.00
8	A_g	362	362	0.00
9	A_g	244	244	0.00
10	A_u	3324	3324	1.72
11	A_u	1396	1396	47.56
12	A_u	1268	1268	69.47
13	A_u	1253	1253	69.37
14	A_u	809	809	147.93
15	A_u	388	388	6.44
16	A_u	365	365	21.06
17	A_u	148	148	3.93
18	A_u	45	45	2.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.802
C2	0.000	0.000	0.802
H3	1.051	0.000	-1.187
H4	-1.051	0.000	1.187
F5	-0.735	-1.043	-1.308
F6	0.735	1.043	1.308
Cl7	-0.732	1.639	-1.335
Cl8	0.732	-1.639	1.335

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6035	1.1192	2.2491	1.3729	2.4659	1.8724	2.7903
C2	1.6035		2.2491	1.1192	2.4659	1.3729	2.7903	1.8724
H3	1.1192	2.2491		3.1704	2.0715	2.7230	2.4263	3.0240
H4	2.2491	1.1192	3.1704		2.7230	2.0715	3.0240	2.4263
F5	1.3729	2.4659	2.0715	2.7230		3.6552	2.6822	3.0808
F6	2.4659	1.3729	2.7230	2.0715	3.6552		3.0808	2.6822
Cl7	1.8724	2.7903	2.4263	3.0240	2.6822	3.0808		4.4734
Cl8	2.7903	1.8724	3.0240	2.4263	3.0808	2.6822	4.4734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.122	C1	C2	F6	111.659
C1	C2	Cl8	106.533	C2	C1	H3	110.122
C2	C1	F5	111.659	C2	C1	Cl7	106.533
H3	C1	F5	112.052	H3	C1	Cl7	105.621
H4	C2	F6	112.052	H4	C2	Cl8	105.621
F5	C1	Cl7	110.540	F6	C2	Cl8	110.540

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

using model chemistry: wB97X-D/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	0.091
2	C	0.091
3	H	0.122
4	H	0.122
5	F	-0.044
6	F	-0.044
7	Cl	-0.169
8	Cl	-0.169

	x	y	z
x	2.360	-1.011	0.664
y	-1.011	5.194	-1.123
z	0.664	-1.123	2.587

<r²>	271.372
(<r²>)^1/2	16.473