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	hartrees
Energy at 0K	-1182.957495
Energy at 298.15K
HF Energy	-1182.897063
Nuclear repulsion energy	361.579304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3337	3337	0.00
2	A_g	1499	1499	0.00
3	A_g	1345	1345	0.00
4	A_g	1240	1240	0.00
5	A_g	1067	1067	0.00
6	A_g	846	846	0.00
7	A_g	510	510	0.00
8	A_g	359	359	0.00
9	A_g	240	240	0.00
10	A_u	3343	3343	2.12
11	A_u	1401	1401	45.18
12	A_u	1268	1268	34.52
13	A_u	1256	1256	99.83
14	A_u	806	806	140.33
15	A_u	382	382	6.85
16	A_u	361	361	21.04
17	A_u	141	141	3.68
18	A_u	46	46	2.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.802
C2	0.000	0.000	0.802
H3	1.050	0.000	-1.189
H4	-1.050	0.000	1.189
F5	-0.736	-1.048	-1.307
F6	0.736	1.048	1.307
Cl7	-0.738	1.640	-1.334
Cl8	0.738	-1.640	1.334

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6032	1.1193	2.2509	1.3767	2.4667	1.8750	2.7915
C2	1.6032		2.2509	1.1193	2.4667	1.3767	2.7915	1.8750
H3	1.1193	2.2509		3.1731	2.0741	2.7253	2.4301	3.0252
H4	2.2509	1.1193	3.1731		2.7253	2.0741	3.0252	2.4301
F5	1.3767	2.4667	2.0741	2.7253		3.6592	2.6878	3.0812
F6	2.4667	1.3767	2.7253	2.0741	3.6592		3.0812	2.6878
Cl7	1.8750	2.7915	2.4301	3.0252	2.6878	3.0812		4.4773
Cl8	2.7915	1.8750	3.0252	2.4301	3.0812	2.6878	4.4773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.270	C1	C2	F6	111.518
C1	C2	Cl8	106.489	C2	C1	H3	110.270
C2	C1	F5	111.518	C2	C1	Cl7	106.489
H3	C1	F5	111.987	H3	C1	Cl7	105.714
H4	C2	F6	111.987	H4	C2	Cl8	105.714
F5	C1	Cl7	110.565	F6	C2	Cl8	110.565

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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