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	hartrees
Energy at 0K	-1195.922078
Energy at 298.15K	-1195.925552
HF Energy	-1194.876186
Nuclear repulsion energy	374.058887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3149	3032
2	A_g	1421	1368
3	A_g	1351	1301
4	A_g	1131	1089
5	A_g	1079	1039
6	A_g	845	813
7	A_g	516	497
8	A_g	375	361
9	A_g	269	259
10	A_u	3161	3044
11	A_u	1343	1293
12	A_u	1267	1220
13	A_u	1105	1064
14	A_u	787	758
15	A_u	402	387
16	A_u	376	362
17	A_u	171	165
18	A_u	72	69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.015	0.000	-1.159
H4	-1.015	0.000	1.159
F5	-0.660	-1.113	-1.207
F6	0.660	1.113	1.207
Cl7	-0.841	1.459	-1.360
Cl8	0.841	-1.459	1.360

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5272	1.0893	2.1744	1.3675	2.3576	1.7861	2.7099
C2	1.5272		2.1744	1.0893	2.3576	1.3675	2.7099	1.7861
H3	1.0893	2.1744		3.0817	2.0110	2.6394	2.3688	2.9163
H4	2.1744	1.0893	3.0817		2.6394	2.0110	2.9163	2.3688
F5	1.3675	2.3576	2.0110	2.6394		3.5390	2.5823	2.9936
F6	2.3576	1.3675	2.6394	2.0110	3.5390		2.9936	2.5823
Cl7	1.7861	2.7099	2.3688	2.9163	2.5823	2.9936		4.3284
Cl8	2.7099	1.7861	2.9163	2.3688	2.9936	2.5823	4.3284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.308	C1	C2	F6	108.940
C1	C2	Cl8	109.499	C2	C1	H3	111.308
C2	C1	F5	108.940	C2	C1	Cl7	109.499
H3	C1	F5	109.353	H3	C1	Cl7	108.496
H4	C2	F6	109.353	H4	C2	Cl8	108.496
F5	C1	Cl7	109.217	F6	C2	Cl8	109.217

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

using model chemistry: MP4/TZVP

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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