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	hartrees
Energy at 0K	-1196.785257
Energy at 298.15K	-1196.788537
HF Energy	-1196.785257
Nuclear repulsion energy	372.191579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3052	3002	0.00
2	A_g	1370	1347	0.00
3	A_g	1283	1262	0.00
4	A_g	1101	1083	0.00
5	A_g	1055	1038	0.00
6	A_g	781	769	0.00
7	A_g	502	494	0.00
8	A_g	355	349	0.00
9	A_g	260	256	0.00
10	A_u	3064	3013	17.58
11	A_u	1297	1275	25.61
12	A_u	1205	1185	38.33
13	A_u	1120	1102	237.50
14	A_u	727	715	245.64
15	A_u	383	377	1.81
16	A_u	356	350	27.48
17	A_u	166	163	1.44
18	A_u	73	72	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.768
C2	0.000	0.000	0.768
H3	1.026	0.000	-1.168
H4	-1.026	0.000	1.168
F5	-0.690	-1.087	-1.219
F6	0.690	1.087	1.219
Cl7	-0.807	1.506	-1.348
Cl8	0.807	-1.506	1.348

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5357	1.1016	2.1913	1.3641	2.3674	1.8051	2.7203
C2	1.5357		2.1913	1.1016	2.3674	1.3641	2.7203	1.8051
H3	1.1016	2.1913		3.1100	2.0320	2.6444	2.3799	2.9413
H4	2.1913	1.1016	3.1100		2.6444	2.0320	2.9413	2.3799
F5	1.3641	2.3674	2.0320	2.6444		3.5458	2.5990	3.0017
F6	2.3674	1.3641	2.6444	2.0320	3.5458		3.0017	2.5990
Cl7	1.8051	2.7203	2.3799	2.9413	2.5990	3.0017		4.3541
Cl8	2.7203	1.8051	2.9413	2.3799	3.0017	2.5990	4.3541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.316	C1	C2	F6	109.313
C1	C2	Cl8	108.764	C2	C1	H3	111.316
C2	C1	F5	109.313	C2	C1	Cl7	108.764
H3	C1	F5	110.552	H3	C1	Cl7	107.441
H4	C2	F6	110.552	H4	C2	Cl8	107.441
F5	C1	Cl7	109.403	F6	C2	Cl8	109.403

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

using model chemistry: PBEPBEultrafine/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	0.008
2	C	0.008
3	H	0.219
4	H	0.219
5	F	-0.212
6	F	-0.212
7	Cl	-0.015
8	Cl	-0.015

	x	y	z
x	5.473	-1.513	0.973
y	-1.513	8.050	-1.803
z	0.973	-1.803	6.153

<r²>	259.377
(<r²>)^1/2	16.105