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	hartrees
Energy at 0K	-1197.400087
Energy at 298.15K	-1197.403531
HF Energy	-1197.400087
Nuclear repulsion energy	375.176836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3129	3013	0.00
2	A_g	1403	1351	0.00
3	A_g	1315	1267	0.00
4	A_g	1126	1084	0.00
5	A_g	1080	1041	0.00
6	A_g	820	790	0.00
7	A_g	519	500	0.00
8	A_g	373	359	0.00
9	A_g	269	259	0.00
10	A_u	3140	3025	12.83
11	A_u	1327	1278	20.54
12	A_u	1236	1190	40.14
13	A_u	1130	1089	279.49
14	A_u	765	737	250.61
15	A_u	403	389	2.31
16	A_u	368	355	30.02
17	A_u	171	165	1.45
18	A_u	71	68	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.015	0.000	-1.159
H4	-1.015	0.000	1.159
F5	-0.670	-1.090	-1.209
F6	0.670	1.090	1.209
Cl7	-0.815	1.471	-1.358
Cl8	0.815	-1.471	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5258	1.0901	2.1739	1.3553	2.3509	1.7836	2.7067
C2	1.5258		2.1739	1.0901	2.3509	1.3553	2.7067	1.7836
H3	1.0901	2.1739		3.0822	2.0082	2.6300	2.3564	2.9225
H4	2.1739	1.0901	3.0822		2.6300	2.0082	2.9225	2.3564
F5	1.3553	2.3509	2.0082	2.6300		3.5212	2.5690	2.9905
F6	2.3509	1.3553	2.6300	2.0082	3.5212		2.9905	2.5690
Cl7	1.7836	2.7067	2.3564	2.9225	2.5690	2.9905		4.3228
Cl8	2.7067	1.7836	2.9225	2.3564	2.9905	2.5690	4.3228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.320	C1	C2	F6	109.227
C1	C2	Cl8	109.500	C2	C1	H3	111.320
C2	C1	F5	109.227	C2	C1	Cl7	109.500
H3	C1	F5	109.943	H3	C1	Cl7	107.713
H4	C2	F6	109.943	H4	C2	Cl8	107.713
F5	C1	Cl7	109.099	F6	C2	Cl8	109.099

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

using model chemistry: B3PW91/6-311G**

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	0.038
2	C	0.038
3	H	0.202
4	H	0.202
5	F	-0.198
6	F	-0.198
7	Cl	-0.042
8	Cl	-0.042

	x	y	z
x	5.316	-1.650	0.983
y	-1.650	7.955	-1.838
z	0.983	-1.838	6.069

<r²>	256.667
(<r²>)^1/2	16.021