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	hartrees
Energy at 0K	-1197.381864
Energy at 298.15K	-1197.385061
HF Energy	-1197.381864
Nuclear repulsion energy	368.693504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3053	3028	0.00
2	A_g	1371	1360	0.00
3	A_g	1279	1269	0.00
4	A_g	1076	1067	0.00
5	A_g	1035	1027	0.00
6	A_g	752	746	0.00
7	A_g	493	489	0.00
8	A_g	343	340	0.00
9	A_g	254	252	0.00
10	A_u	3064	3039	18.67
11	A_u	1300	1290	22.00
12	A_u	1203	1193	46.60
13	A_u	1091	1082	237.81
14	A_u	690	684	252.79
15	A_u	372	369	1.92
16	A_u	356	353	28.13
17	A_u	165	163	1.56
18	A_u	71	70	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.771
C2	0.000	0.000	0.771
H3	1.020	0.000	-1.179
H4	-1.020	0.000	1.179
F5	-0.701	-1.087	-1.227
F6	0.701	1.087	1.227
Cl7	-0.814	1.531	-1.362
Cl8	0.814	-1.531	1.362

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5414	1.0989	2.2002	1.3716	2.3802	1.8320	2.7488
C2	1.5414		2.2002	1.0989	2.3802	1.3716	2.7488	1.8320
H3	1.0989	2.2002		3.1178	2.0366	2.6592	2.3963	2.9737
H4	2.2002	1.0989	3.1178		2.6592	2.0366	2.9737	2.3963
F5	1.3716	2.3802	2.0366	2.6592		3.5660	2.6235	3.0331
F6	2.3802	1.3716	2.6592	2.0366	3.5660		3.0331	2.6235
Cl7	1.8320	2.7488	2.3963	2.9737	2.6235	3.0331		4.4101
Cl8	2.7488	1.8320	2.9737	2.3963	3.0331	2.6235	4.4101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.785	C1	C2	F6	109.450
C1	C2	Cl8	108.839	C2	C1	H3	111.785
C2	C1	F5	109.450	C2	C1	Cl7	108.839
H3	C1	F5	110.564	H3	C1	Cl7	107.016
H4	C2	F6	110.564	H4	C2	Cl8	107.016
F5	C1	Cl7	109.112	F6	C2	Cl8	109.112

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	0.068
2	C	0.068
3	H	0.194
4	H	0.194
5	F	-0.221
6	F	-0.221
7	Cl	-0.041
8	Cl	-0.041

	x	y	z
x	5.491	-1.570	1.025
y	-1.570	8.240	-1.898
z	1.025	-1.898	6.212

<r²>	264.415
(<r²>)^1/2	16.261