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	hartrees
Energy at 0K	-1196.926069
Energy at 298.15K
HF Energy	-1196.629122
Nuclear repulsion energy	375.021625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3174	3174	0.00
2	A_g	1434	1434	0.00
3	A_g	1351	1351	0.00
4	A_g	1148	1148	0.00
5	A_g	1107	1107	0.00
6	A_g	838	838	0.00
7	A_g	522	522	0.00
8	A_g	375	375	0.00
9	A_g	273	273	0.00
10	A_u	3185	3185	14.62
11	A_u	1353	1353	31.25
12	A_u	1266	1266	41.40
13	A_u	1153	1153	238.46
14	A_u	780	780	224.85
15	A_u	401	401	2.85
16	A_u	372	372	30.25
17	A_u	174	174	1.48
18	A_u	78	78	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.014	0.000	-1.156
H4	-1.014	0.000	1.156
F5	-0.676	-1.097	-1.200
F6	0.676	1.097	1.200
Cl7	-0.819	1.471	-1.354
Cl8	0.819	-1.471	1.354

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5240	1.0883	2.1698	1.3612	2.3477	1.7847	2.7039
C2	1.5240		2.1698	1.0883	2.3477	1.3612	2.7039	1.7847
H3	1.0883	2.1698		3.0761	2.0157	2.6214	2.3590	2.9157
H4	2.1698	1.0883	3.0761		2.6214	2.0157	2.9157	2.3590
F5	1.3612	2.3477	2.0157	2.6214		3.5224	2.5765	2.9833
F6	2.3477	1.3612	2.6214	2.0157	3.5224		2.9833	2.5765
Cl7	1.7847	2.7039	2.3590	2.9157	2.5765	2.9833		4.3209
Cl8	2.7039	1.7847	2.9157	2.3590	2.9833	2.5765	4.3209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.238	C1	C2	F6	108.792
C1	C2	Cl8	109.365	C2	C1	H3	111.238
C2	C1	F5	108.792	C2	C1	Cl7	109.365
H3	C1	F5	110.259	H3	C1	Cl7	107.929
H4	C2	F6	110.259	H4	C2	Cl8	107.929
F5	C1	Cl7	109.231	F6	C2	Cl8	109.231

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

using model chemistry: B2PLYP=FULLultrafine/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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