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	hartrees
Energy at 0K	-1188.197351
Energy at 298.15K	-1188.200584
HF Energy	-1188.197351
Nuclear repulsion energy	375.295375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3033	2978	0.00
2	A_g	1370	1346	0.00
3	A_g	1285	1262	0.00
4	A_g	1131	1111	0.00
5	A_g	1051	1032	0.00
6	A_g	778	764	0.00
7	A_g	493	484	0.00
8	A_g	352	345	0.00
9	A_g	264	259	0.00
10	A_u	3050	2995	9.57
11	A_u	1290	1266	21.42
12	A_u	1229	1207	17.82
13	A_u	1165	1144	156.16
14	A_u	736	723	231.94
15	A_u	368	361	3.32
16	A_u	334	328	29.74
17	A_u	158	155	2.57
18	A_u	63	62	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.756
C2	0.000	0.000	0.756
H3	1.037	0.000	-1.131
H4	-1.037	0.000	1.131
F5	-0.723	-1.078	-1.205
F6	0.723	1.078	1.205
Cl7	-0.755	1.531	-1.292
Cl8	0.755	-1.531	1.292

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5122	1.1029	2.1536	1.3736	2.3519	1.7895	2.6665
C2	1.5122		2.1536	1.1029	2.3519	1.3736	2.6665	1.7895
H3	1.1029	2.1536		3.0696	2.0654	2.5924	2.3628	2.8807
H4	2.1536	1.1029	3.0696		2.5924	2.0654	2.8807	2.3628
F5	1.3736	2.3519	2.0654	2.5924		3.5426	2.6112	2.9370
F6	2.3519	1.3736	2.5924	2.0654	3.5426		2.9370	2.6112
Cl7	1.7895	2.6665	2.3628	2.8807	2.6112	2.9370		4.2824
Cl8	2.6665	1.7895	2.8807	2.3628	2.9370	2.6112	4.2824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.892	C1	C2	F6	109.081
C1	C2	Cl8	107.430	C2	C1	H3	109.892
C2	C1	F5	109.081	C2	C1	Cl7	107.430
H3	C1	F5	112.561	H3	C1	Cl7	107.144
H4	C2	F6	112.561	H4	C2	Cl8	107.144
F5	C1	Cl7	110.596	F6	C2	Cl8	110.596

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

using model chemistry: LSDA/3-21G*

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	-0.103
2	C	-0.103
3	H	0.290
4	H	0.290
5	F	-0.207
6	F	-0.207
7	Cl	0.020
8	Cl	0.020

	x	y	z
x	4.908	-1.359	0.823
y	-1.359	7.696	-1.726
z	0.823	-1.726	5.392

<r²>	253.929
(<r²>)^1/2	15.935