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	hartrees
Energy at 0K	-1197.160751
Energy at 298.15K	-1197.164023
HF Energy	-1197.160751
Nuclear repulsion energy	366.582257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3201	3065	0.00
2	A_g	1407	1347	0.00
3	A_g	1312	1257	0.00
4	A_g	1142	1093	0.00
5	A_g	1052	1007	0.00
6	A_g	774	741	0.00
7	A_g	497	476	0.00
8	A_g	350	335	0.00
9	A_g	258	247	0.00
10	A_u	3214	3078	3.22
11	A_u	1319	1263	12.23
12	A_u	1249	1197	32.07
13	A_u	1096	1049	198.80
14	A_u	719	689	225.21
15	A_u	372	356	5.67
16	A_u	354	339	39.97
17	A_u	164	157	2.38
18	A_u	72	69	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.756
C2	0.000	0.000	0.756
H3	1.001	0.000	-1.183
H4	-1.001	0.000	1.183
F5	-0.720	-1.110	-1.209
F6	0.720	1.110	1.209
Cl7	-0.850	1.530	-1.363
Cl8	0.850	-1.530	1.363

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5130	1.0876	2.1822	1.3989	2.3700	1.8523	2.7489
C2	1.5130		2.1822	1.0876	2.3700	1.3989	2.7489	1.8523
H3	1.0876	2.1822		3.0984	2.0482	2.6522	2.4077	2.9742
H4	2.1822	1.0876	3.0984		2.6522	2.0482	2.9742	2.4077
F5	1.3989	2.3700	2.0482	2.6522		3.5858	2.6479	3.0431
F6	2.3700	1.3989	2.6522	2.0482	3.5858		3.0431	2.6479
Cl7	1.8523	2.7489	2.4077	2.9742	2.6479	3.0431		4.4369
Cl8	2.7489	1.8523	2.9742	2.4077	3.0431	2.6479	4.4369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.074	C1	C2	F6	108.894
C1	C2	Cl8	109.123	C2	C1	H3	113.074
C2	C1	F5	108.894	C2	C1	Cl7	109.123
H3	C1	F5	110.297	H3	C1	Cl7	107.074
H4	C2	F6	110.297	H4	C2	Cl8	107.074
F5	C1	Cl7	108.256	F6	C2	Cl8	108.256

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

using model chemistry: B3PW91/6-31G

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	-0.053
2	C	-0.053
3	H	0.264
4	H	0.264
5	F	-0.279
6	F	-0.279
7	Cl	0.067
8	Cl	0.067

	x	y	z
x	4.810	-1.751	1.159
y	-1.751	7.900	-1.928
z	1.159	-1.928	5.248

<r²>	267.519
(<r²>)^1/2	16.356