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	hartrees
Energy at 0K	-1196.908955
Energy at 298.15K	-1196.912420
HF Energy	-1196.626169
Nuclear repulsion energy	374.842343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3181	3019	0.00
2	A_g	1438	1365	0.00
3	A_g	1359	1290	0.00
4	A_g	1148	1090	0.00
5	A_g	1107	1051	0.00
6	A_g	839	797	0.00
7	A_g	522	495	0.00
8	A_g	374	355	0.00
9	A_g	273	259	0.00
10	A_u	3191	3029	14.32
11	A_u	1360	1291	33.67
12	A_u	1274	1209	40.62
13	A_u	1151	1093	238.97
14	A_u	780	740	226.54
15	A_u	401	380	2.82
16	A_u	374	355	30.66
17	A_u	174	165	1.49
18	A_u	78	74	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.015	0.000	-1.158
H4	-1.015	0.000	1.158
F5	-0.675	-1.099	-1.201
F6	0.675	1.099	1.201
Cl7	-0.823	1.470	-1.354
Cl8	0.823	-1.470	1.354

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5248	1.0892	2.1722	1.3619	2.3489	1.7855	2.7050
C2	1.5248		2.1722	1.0892	2.3489	1.3619	2.7050	1.7855
H3	1.0892	2.1722		3.0797	2.0159	2.6245	2.3613	2.9170
H4	2.1722	1.0892	3.0797		2.6245	2.0159	2.9170	2.3613
F5	1.3619	2.3489	2.0159	2.6245		3.5240	2.5777	2.9845
F6	2.3489	1.3619	2.6245	2.0159	3.5240		2.9845	2.5777
Cl7	1.7855	2.7050	2.3613	2.9170	2.5777	2.9845		4.3226
Cl8	2.7050	1.7855	2.9170	2.3613	2.9845	2.5777	4.3226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.310	C1	C2	F6	108.780
C1	C2	Cl8	109.343	C2	C1	H3	111.310
C2	C1	F5	108.780	C2	C1	Cl7	109.343
H3	C1	F5	110.162	H3	C1	Cl7	107.992
H4	C2	F6	110.162	H4	C2	Cl8	107.992
F5	C1	Cl7	109.225	F6	C2	Cl8	109.225

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

using model chemistry: B2PLYP/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	0.072
2	C	0.072
3	H	0.218
4	H	0.218
5	F	-0.269
6	F	-0.269
7	Cl	-0.021
8	Cl	-0.021

	x	y	z
x	5.287	-1.431	0.907
y	-1.431	7.510	-1.608
z	0.907	-1.608	5.742

<r²>	256.390
(<r²>)^1/2	16.012