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	hartrees
Energy at 0K	-1193.993358
Energy at 298.15K	-1193.996746
HF Energy	-1193.993358
Nuclear repulsion energy	378.436336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3024	2974	0.00
2	A_g	1361	1339	0.00
3	A_g	1268	1248	0.00
4	A_g	1122	1104	0.00
5	A_g	1079	1062	0.00
6	A_g	806	793	0.00
7	A_g	518	510	0.00
8	A_g	369	363	0.00
9	A_g	267	263	0.00
10	A_u	3037	2987	12.79
11	A_u	1281	1260	20.19
12	A_u	1193	1174	28.81
13	A_u	1141	1122	267.82
14	A_u	764	751	245.77
15	A_u	399	392	2.25
16	A_u	358	353	27.86
17	A_u	167	165	1.45
18	A_u	72	71	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.754
C2	0.000	0.000	0.754
H3	1.030	0.000	-1.148
H4	-1.030	0.000	1.148
F5	-0.667	-1.081	-1.200
F6	0.667	1.081	1.200
Cl7	-0.807	1.471	-1.322
Cl8	0.807	-1.471	1.322

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5088	1.1025	2.1631	1.3458	2.3305	1.7710	2.6695
C2	1.5088		2.1631	1.1025	2.3305	1.3458	2.6695	1.7710
H3	1.1025	2.1631		3.0842	2.0125	2.6096	2.3594	2.8833
H4	2.1631	1.1025	3.0842		2.6096	2.0125	2.8833	2.3594
F5	1.3458	2.3305	2.0125	2.6096		3.4940	2.5585	2.9466
F6	2.3305	1.3458	2.6096	2.0125	3.4940		2.9466	2.5585
Cl7	1.7710	2.6695	2.3594	2.8833	2.5585	2.9466		4.2719
Cl8	2.6695	1.7710	2.8833	2.3594	2.9466	2.5585	4.2719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.903	C1	C2	F6	109.315
C1	C2	Cl8	108.695	C2	C1	H3	110.903
C2	C1	F5	109.315	C2	C1	Cl7	108.695
H3	C1	F5	110.180	H3	C1	Cl7	108.126
H4	C2	F6	110.180	H4	C2	Cl8	108.126
F5	C1	Cl7	109.591	F6	C2	Cl8	109.591

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

using model chemistry: LSDA/6-311G*

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	-0.160
2	C	-0.160
3	H	0.302
4	H	0.302
5	F	-0.148
6	F	-0.148
7	Cl	0.005
8	Cl	0.005

	x	y	z
x	5.521	-1.720	0.945
y	-1.720	8.226	-1.917
z	0.945	-1.917	6.295

<r²>	252.047
(<r²>)^1/2	15.876