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	hartrees
Energy at 0K	-1195.894715
Energy at 298.15K	-1195.898110
HF Energy	-1194.805867
Nuclear repulsion energy	372.436783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3133	3055
2	A_g	1379	1344
3	A_g	1290	1258
4	A_g	1129	1101
5	A_g	1038	1012
6	A_g	823	802
7	A_g	504	491
8	A_g	368	359
9	A_g	267	260
10	A_u	3143	3065
11	A_u	1289	1257
12	A_u	1215	1185
13	A_u	1064	1038
14	A_u	777	757
15	A_u	394	384
16	A_u	361	352
17	A_u	168	164
18	A_u	70	69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.766
C2	0.000	0.000	0.766
H3	1.020	0.000	-1.178
H4	-1.020	0.000	1.178
F5	-0.675	-1.126	-1.206
F6	0.675	1.126	1.206
Cl7	-0.855	1.453	-1.362
Cl8	0.855	-1.453	1.362

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5315	1.1002	2.1948	1.3849	2.3688	1.7881	2.7148
C2	1.5315		2.1948	1.1002	2.3688	1.3849	2.7148	1.7881
H3	1.1002	2.1948		3.1161	2.0356	2.6586	2.3795	2.9304
H4	2.1948	1.1002	3.1161		2.6586	2.0356	2.9304	2.3795
F5	1.3849	2.3688	2.0356	2.6586		3.5655	2.5899	3.0072
F6	2.3688	1.3849	2.6586	2.0356	3.5655		3.0072	2.5899
Cl7	1.7881	2.7148	2.3795	2.9304	2.5899	3.0072		4.3347
Cl8	2.7148	1.7881	2.9304	2.3795	3.0072	2.5899	4.3347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.977	C1	C2	F6	108.527
C1	C2	Cl8	109.485	C2	C1	H3	111.977
C2	C1	F5	108.527	C2	C1	Cl7	109.485
H3	C1	F5	109.457	H3	C1	Cl7	108.588
H4	C2	F6	109.457	H4	C2	Cl8	108.588
F5	C1	Cl7	108.754	F6	C2	Cl8	108.754

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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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