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	hartrees
Energy at 0K	-1197.581923
Energy at 298.15K	-1197.585120
HF Energy	-1197.581923
Nuclear repulsion energy	369.539129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3037	3028	0.00
2	A_g	1343	1339	0.00
3	A_g	1246	1242	0.00
4	A_g	1047	1044	0.00
5	A_g	1009	1006	0.00
6	A_g	745	742	0.00
7	A_g	490	488	0.00
8	A_g	342	341	0.00
9	A_g	252	251	0.00
10	A_u	3049	3040	10.22
11	A_u	1275	1271	6.55
12	A_u	1179	1175	36.10
13	A_u	1042	1039	242.59
14	A_u	688	686	242.70
15	A_u	373	372	1.24
16	A_u	357	356	25.16
17	A_u	163	163	0.88
18	A_u	64	64	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.768
C2	0.000	0.000	0.768
H3	1.013	0.000	-1.179
H4	-1.013	0.000	1.179
F5	-0.691	-1.098	-1.226
F6	0.691	1.098	1.226
Cl7	-0.825	1.508	-1.368
Cl8	0.825	-1.508	1.368

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5365	1.0929	2.1950	1.3757	2.3791	1.8209	2.7419
C2	1.5365		2.1950	1.0929	2.3791	1.3757	2.7419	1.8209
H3	1.0929	2.1950		3.1087	2.0272	2.6636	2.3853	2.9658
H4	2.1950	1.0929	3.1087		2.6636	2.0272	2.9658	2.3853
F5	1.3757	2.3791	2.0272	2.6636		3.5700	2.6140	3.0320
F6	2.3791	1.3757	2.6636	2.0272	3.5700		3.0320	2.6140
Cl7	1.8209	2.7419	2.3853	2.9658	2.6140	3.0320		4.3940
Cl8	2.7419	1.8209	2.9658	2.3853	3.0320	2.6140	4.3940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.083	C1	C2	F6	109.436
C1	C2	Cl8	109.217	C2	C1	H3	112.083
C2	C1	F5	109.436	C2	C1	Cl7	109.217
H3	C1	F5	109.879	H3	C1	Cl7	107.234
H4	C2	F6	109.879	H4	C2	Cl8	107.234
F5	C1	Cl7	108.920	F6	C2	Cl8	108.920

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

using model chemistry: BLYP/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	0.189
2	C	0.189
3	H	0.101
4	H	0.101
5	F	-0.169
6	F	-0.169
7	Cl	-0.121
8	Cl	-0.121

	x	y	z
x	6.490	-1.495	1.041
y	-1.495	9.162	-1.821
z	1.041	-1.821	7.466

<r²>	263.601
(<r²>)^1/2	16.236