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	hartrees
Energy at 0K	-1196.986048
Energy at 298.15K	-1196.989489
HF Energy	-1196.687399
Nuclear repulsion energy	374.020028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3149	3015	0.00
2	A_g	1406	1347	0.00
3	A_g	1301	1246	0.00
4	A_g	1140	1092	0.00
5	A_g	1086	1040	0.00
6	A_g	821	786	0.00
7	A_g	517	495	0.00
8	A_g	371	356	0.00
9	A_g	270	258	0.00
10	A_u	3159	3025	13.69
11	A_u	1319	1263	21.51
12	A_u	1224	1173	41.64
13	A_u	1135	1087	266.73
14	A_u	768	736	222.00
15	A_u	399	382	2.27
16	A_u	367	352	28.32
17	A_u	172	165	1.34
18	A_u	72	69	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.023	0.000	-1.161
H4	-1.023	0.000	1.161
F5	-0.676	-1.092	-1.211
F6	0.676	1.092	1.211
Cl7	-0.814	1.483	-1.353
Cl8	0.814	-1.483	1.353

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5267	1.0976	2.1793	1.3605	2.3554	1.7919	2.7099
C2	1.5267		2.1793	1.0976	2.3554	1.3605	2.7099	1.7919
H3	1.0976	2.1793		3.0947	2.0209	2.6340	2.3691	2.9265
H4	2.1793	1.0976	3.0947		2.6340	2.0209	2.9265	2.3691
F5	1.3605	2.3554	2.0209	2.6340		3.5308	2.5831	2.9916
F6	2.3554	1.3605	2.6340	2.0209	3.5308		2.9916	2.5831
Cl7	1.7919	2.7099	2.3691	2.9265	2.5831	2.9916		4.3333
Cl8	2.7099	1.7919	2.9265	2.3691	2.9916	2.5831	4.3333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.233	C1	C2	F6	109.197
C1	C2	Cl8	109.227	C2	C1	H3	111.233
C2	C1	F5	109.197	C2	C1	Cl7	109.227
H3	C1	F5	110.139	H3	C1	Cl7	107.721
H4	C2	F6	110.139	H4	C2	Cl8	107.721
F5	C1	Cl7	109.290	F6	C2	Cl8	109.290

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

using model chemistry: B2PLYP/cc-pVDZ

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	0.186
2	C	0.186
3	H	0.083
4	H	0.083
5	F	-0.189
6	F	-0.189
7	Cl	-0.079
8	Cl	-0.079

	x	y	z
x	5.172	-1.438	0.841
y	-1.438	7.525	-1.600
z	0.841	-1.600	5.714

<r²>	257.449
(<r²>)^1/2	16.045