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	hartrees
Energy at 0K	-1197.289723
Energy at 298.15K	-1197.292735
HF Energy	-1197.289723
Nuclear repulsion energy	360.030462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3108	3085	0.00
2	A_g	1355	1345	0.00
3	A_g	1249	1240	0.00
4	A_g	1074	1065	0.00
5	A_g	988	981	0.00
6	A_g	699	694	0.00
7	A_g	471	467	0.00
8	A_g	318	316	0.00
9	A_g	242	240	0.00
10	A_u	3120	3097	6.22
11	A_u	1274	1264	7.77
12	A_u	1188	1179	38.72
13	A_u	1029	1022	193.08
14	A_u	641	636	239.15
15	A_u	345	342	14.79
16	A_u	339	336	26.14
17	A_u	157	155	2.45
18	A_u	66	66	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.002	0.000	-1.203
H4	-1.002	0.000	1.203
F5	-0.752	-1.103	-1.232
F6	0.752	1.103	1.232
Cl7	-0.845	1.596	-1.369
Cl8	0.845	-1.596	1.369

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5256	1.0947	2.2067	1.4156	2.4007	1.9049	2.7941
C2	1.5256		2.2067	1.0947	2.4007	1.4156	2.7941	1.9049
H3	1.0947	2.2067		3.1317	2.0729	2.6852	2.4468	3.0313
H4	2.2067	1.0947	3.1317		2.6852	2.0729	3.0313	2.4468
F5	1.4156	2.4007	2.0729	2.6852		3.6342	2.7042	3.0924
F6	2.4007	1.4156	2.6852	2.0729	3.6342		3.0924	2.7042
Cl7	1.9049	2.7941	2.4468	3.0313	2.7042	3.0924		4.5325
Cl8	2.7941	1.9049	3.0313	2.4468	3.0924	2.7042	4.5325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.716	C1	C2	F6	109.362
C1	C2	Cl8	108.570	C2	C1	H3	113.716
C2	C1	F5	109.362	C2	C1	Cl7	108.570
H3	C1	F5	110.688	H3	C1	Cl7	106.149
H4	C2	F6	110.688	H4	C2	Cl8	106.149
F5	C1	Cl7	108.152	F6	C2	Cl8	108.152

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

using model chemistry: BLYP/6-31G

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	0.003
2	C	0.003
3	H	0.217
4	H	0.217
5	F	-0.242
6	F	-0.242
7	Cl	0.022
8	Cl	0.022

	x	y	z
x	4.989	-1.884	1.297
y	-1.884	8.683	-2.215
z	1.297	-2.215	5.664

<r²>	276.684
(<r²>)^1/2	16.634