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	hartrees
Energy at 0K	-306.966791
Energy at 298.15K	-306.969957
HF Energy	-306.966791
Nuclear repulsion energy	203.434005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3204	3080	0.00
2	A_g	1385	1331	0.00
3	A_g	1284	1234	0.00
4	A_g	1117	1074	0.00
5	A_g	997	959	0.00
6	A_g	764	734	0.00
7	A_g	483	465	0.00
8	A_g	339	326	0.00
9	A_g	252	242	0.00
10	A_u	3214	3089	9.49
11	A_u	1306	1255	7.78
12	A_u	1231	1183	21.18
13	A_u	1034	994	229.28
14	A_u	707	679	194.20
15	A_u	364	350	3.53
16	A_u	354	341	41.44
17	A_u	162	156	2.04
18	A_u	64	61	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.001	0.000	-1.197
H4	-1.001	0.000	1.197
F5	-0.713	-1.138	-1.220
F6	0.713	1.138	1.220
Cl7	-0.872	1.517	-1.390
Cl8	0.872	-1.517	1.390

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5299	1.0901	2.2024	1.4175	2.3964	1.8585	2.7762
C2	1.5299		2.2024	1.0901	2.3964	1.4175	2.7762	1.8585
H3	1.0901	2.2024		3.1204	2.0569	2.6869	2.4183	3.0019
H4	2.2024	1.0901	3.1204		2.6869	2.0569	3.0019	2.4183
F5	1.4175	2.3964	2.0569	2.6869		3.6282	2.6650	3.0775
F6	2.3964	1.4175	2.6869	2.0569	3.6282		3.0775	2.6650
Cl7	1.8585	2.7762	2.4183	3.0019	2.6650	3.0775		4.4701
Cl8	2.7762	1.8585	3.0019	2.4183	3.0775	2.6650	4.4701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.346	C1	C2	F6	108.733
C1	C2	Cl8	109.657	C2	C1	H3	113.346
C2	C1	F5	108.733	C2	C1	Cl7	109.657
H3	C1	F5	109.537	H3	C1	Cl7	107.318
H4	C2	F6	109.537	H4	C2	Cl8	107.318
F5	C1	Cl7	108.123	F6	C2	Cl8	108.123

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

using model chemistry: B3LYP/LANL2DZ

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	-0.099
2	C	-0.099
3	H	0.292
4	H	0.292
5	F	-0.192
6	F	-0.192
7	Cl	-0.001
8	Cl	-0.001

	x	y	z
x	4.277	-1.778	1.187
y	-1.778	7.499	-1.759
z	1.187	-1.759	4.711

<r²>	171.088
(<r²>)^1/2	13.080