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	hartrees
Energy at 0K	-1197.265206
Energy at 298.15K	-1197.268632
HF Energy	-1197.265206
Nuclear repulsion energy	375.021699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3146	3010	0.00
2	A_g	1422	1361	0.00
3	A_g	1337	1279	0.00
4	A_g	1148	1098	0.00
5	A_g	1096	1049	0.00
6	A_g	826	790	0.00
7	A_g	520	497	0.00
8	A_g	372	356	0.00
9	A_g	269	257	0.00
10	A_u	3158	3021	15.52
11	A_u	1345	1287	30.44
12	A_u	1253	1199	38.97
13	A_u	1164	1114	247.93
14	A_u	769	736	238.84
15	A_u	400	383	2.41
16	A_u	369	353	29.59
17	A_u	171	163	1.45
18	A_u	75	72	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.019	0.000	-1.159
H4	-1.019	0.000	1.159
F5	-0.675	-1.086	-1.209
F6	0.675	1.086	1.209
Cl7	-0.810	1.480	-1.352
Cl8	0.810	-1.480	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5286	1.0923	2.1761	1.3540	2.3512	1.7866	2.7064
C2	1.5286		2.1761	1.0923	2.3512	1.3540	2.7064	1.7866
H3	1.0923	2.1761		3.0855	2.0127	2.6272	2.3606	2.9216
H4	2.1761	1.0923	3.0855		2.6272	2.0127	2.9216	2.3606
F5	1.3540	2.3512	2.0127	2.6272		3.5194	2.5739	2.9860
F6	2.3512	1.3540	2.6272	2.0127	3.5194		2.9860	2.5739
Cl7	1.7866	2.7064	2.3606	2.9216	2.5739	2.9860		4.3239
Cl8	2.7064	1.7866	2.9216	2.3606	2.9860	2.5739	4.3239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.167	C1	C2	F6	109.154
C1	C2	Cl8	109.196	C2	C1	H3	111.167
C2	C1	F5	109.154	C2	C1	Cl7	109.196
H3	C1	F5	110.269	H3	C1	Cl7	107.711
H4	C2	F6	110.269	H4	C2	Cl8	107.711
F5	C1	Cl7	109.309	F6	C2	Cl8	109.309

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	0.025
2	C	0.025
3	H	0.235
4	H	0.235
5	F	-0.247
6	F	-0.247
7	Cl	-0.013
8	Cl	-0.013

	x	y	z
x	5.320	-1.449	0.914
y	-1.449	7.627	-1.669
z	0.914	-1.669	5.874

<r²>	256.148
(<r²>)^1/2	16.005