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	hartrees
Energy at 0K	-1197.494681
Energy at 298.15K	-1197.498068
HF Energy	-1197.494681
Nuclear repulsion energy	374.358040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3109	3000	0.00
2	A_g	1403	1354	0.00
3	A_g	1299	1254	0.00
4	A_g	1140	1100	0.00
5	A_g	1077	1039	0.00
6	A_g	797	770	0.00
7	A_g	517	499	0.00
8	A_g	365	352	0.00
9	A_g	264	255	0.00
10	A_u	3121	3012	11.94
11	A_u	1330	1283	17.39
12	A_u	1220	1177	40.04
13	A_u	1154	1114	231.74
14	A_u	742	716	235.21
15	A_u	394	380	1.68
16	A_u	366	353	25.09
17	A_u	169	163	1.14
18	A_u	71	69	0.74

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	-0.686	-1.067	-1.216
F6	0.686	1.067	1.216
Cl7	-0.798	1.506	-1.345
Cl8	0.798	-1.506	1.345

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5296	1.0917	2.1795	1.3462	2.3519	1.8000	2.7117
C2	1.5296		2.1795	1.0917	2.3519	1.3462	2.7117	1.8000
H3	1.0917	2.1795		3.0894	2.0097	2.6281	2.3646	2.9333
H4	2.1795	1.0917	3.0894		2.6281	2.0097	2.9333	2.3646
F5	1.3462	2.3519	2.0097	2.6281		3.5138	2.5785	2.9913
F6	2.3519	1.3462	2.6281	2.0097	3.5138		2.9913	2.5785
Cl7	1.8000	2.7117	2.3646	2.9333	2.5785	2.9913		4.3413
Cl8	2.7117	1.8000	2.9333	2.3646	2.9913	2.5785	4.3413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.404	C1	C2	F6	109.568
C1	C2	Cl8	108.788	C2	C1	H3	111.404
C2	C1	F5	109.568	C2	C1	Cl7	108.788
H3	C1	F5	110.616	H3	C1	Cl7	107.160
H4	C2	F6	110.616	H4	C2	Cl8	107.160
F5	C1	Cl7	109.237	F6	C2	Cl8	109.237

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.081
2	C	0.081
3	H	0.161
4	H	0.161
5	F	-0.092
6	F	-0.092
7	Cl	-0.150
8	Cl	-0.150

	x	y	z
x	6.148	-1.312	0.914
y	-1.312	8.410	-1.640
z	0.914	-1.640	6.862

<r²>	257.259
(<r²>)^1/2	16.039