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	hartrees
Energy at 0K	-1193.844186
Energy at 298.15K	-1193.847554
HF Energy	-1193.844186
Nuclear repulsion energy	378.143789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3032	2975	0.00
2	A_g	1376	1350	0.00
3	A_g	1274	1251	0.00
4	A_g	1148	1126	0.00
5	A_g	1095	1075	0.00
6	A_g	809	793	0.00
7	A_g	518	509	0.00
8	A_g	367	360	0.00
9	A_g	265	261	0.00
10	A_u	3045	2988	13.82
11	A_u	1291	1267	38.27
12	A_u	1196	1174	49.67
13	A_u	1179	1157	203.62
14	A_u	767	753	232.40
15	A_u	393	386	2.41
16	A_u	354	347	27.62
17	A_u	166	163	1.39
18	A_u	76	75	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.756
C2	0.000	0.000	0.756
H3	1.034	0.000	-1.147
H4	-1.034	0.000	1.147
F5	-0.681	-1.070	-1.200
F6	0.681	1.070	1.200
Cl7	-0.792	1.490	-1.312
Cl8	0.792	-1.490	1.312

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5127	1.1050	2.1658	1.3432	2.3314	1.7768	2.6695
C2	1.5127		2.1658	1.1050	2.3314	1.3432	2.6695	1.7768
H3	1.1050	2.1658		3.0879	2.0213	2.6033	2.3625	2.8853
H4	2.1658	1.1050	3.0879		2.6033	2.0213	2.8853	2.3625
F5	1.3432	2.3314	2.0213	2.6033		3.4915	2.5648	2.9422
F6	2.3314	1.3432	2.6033	2.0213	3.4915		2.9422	2.5648
Cl7	1.7768	2.6695	2.3625	2.8853	2.5648	2.9422		4.2753
Cl8	2.6695	1.7768	2.8853	2.3625	2.9422	2.5648	4.2753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.690	C1	C2	F6	109.296
C1	C2	Cl8	108.225	C2	C1	H3	110.690
C2	C1	F5	109.296	C2	C1	Cl7	108.225
H3	C1	F5	110.930	H3	C1	Cl7	107.845
H4	C2	F6	110.930	H4	C2	Cl8	107.845
F5	C1	Cl7	109.802	F6	C2	Cl8	109.802

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

using model chemistry: LSDA/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	-0.045
2	C	-0.045
3	H	0.233
4	H	0.233
5	F	-0.187
6	F	-0.187
7	Cl	-0.001
8	Cl	-0.001

	x	y	z
x	5.451	-1.470	0.870
y	-1.470	7.852	-1.723
z	0.870	-1.723	6.020

<r²>	251.490
(<r²>)^1/2	15.858