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	hartrees
Energy at 0K	-1197.470407
Energy at 298.15K	-1197.473797
HF Energy	-1197.470407
Nuclear repulsion energy	373.232529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3143	3011	0.00
2	A_g	1423	1363	0.00
3	A_g	1334	1278	0.00
4	A_g	1134	1087	0.00
5	A_g	1087	1041	0.00
6	A_g	809	775	0.00
7	A_g	516	494	0.00
8	A_g	365	350	0.00
9	A_g	267	256	0.00
10	A_u	3155	3022	15.69
11	A_u	1346	1290	29.31
12	A_u	1253	1200	44.65
13	A_u	1148	1099	246.34
14	A_u	747	716	242.97
15	A_u	394	377	2.23
16	A_u	370	354	29.74
17	A_u	171	164	1.51
18	A_u	75	72	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.016	0.000	-1.163
H4	-1.016	0.000	1.163
F5	-0.682	-1.087	-1.211
F6	0.682	1.087	1.211
Cl7	-0.814	1.493	-1.357
Cl8	0.814	-1.493	1.357

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5299	1.0912	2.1795	1.3583	2.3558	1.8011	2.7195
C2	1.5299		2.1795	1.0912	2.3558	1.3583	2.7195	1.8011
H3	1.0912	2.1795		3.0889	2.0168	2.6321	2.3703	2.9363
H4	2.1795	1.0912	3.0889		2.6321	2.0168	2.9363	2.3703
F5	1.3583	2.3558	2.0168	2.6321		3.5283	2.5875	2.9998
F6	2.3558	1.3583	2.6321	2.0168	3.5283		2.9998	2.5875
Cl7	1.8011	2.7195	2.3703	2.9363	2.5875	2.9998		4.3519
Cl8	2.7195	1.8011	2.9363	2.3703	2.9998	2.5875	4.3519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.407	C1	C2	F6	109.159
C1	C2	Cl8	109.185	C2	C1	H3	111.407
C2	C1	F5	109.159	C2	C1	Cl7	109.185
H3	C1	F5	110.362	H3	C1	Cl7	107.521
H4	C2	F6	110.362	H4	C2	Cl8	107.521
F5	C1	Cl7	109.163	F6	C2	Cl8	109.163

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

using model chemistry: B3LYPultrafine/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	0.069
2	C	0.069
3	H	0.211
4	H	0.211
5	F	-0.250
6	F	-0.250
7	Cl	-0.029
8	Cl	-0.029

	x	y	z
x	5.336	-1.479	0.937
y	-1.479	7.723	-1.719
z	0.937	-1.719	5.897

<r²>	258.648
(<r²>)^1/2	16.083