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	hartrees
Energy at 0K	-1191.182518
Energy at 298.15K	-1191.185811
HF Energy	-1190.946752
Nuclear repulsion energy	371.431484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3184	3184	0.00
2	A_g	1433	1433	0.00
3	A_g	1356	1356	0.00
4	A_g	1118	1118	0.00
5	A_g	1053	1053	0.00
6	A_g	799	799	0.00
7	A_g	493	493	0.00
8	A_g	354	354	0.00
9	A_g	267	267	0.00
10	A_u	3199	3199	8.47
11	A_u	1352	1352	23.81
12	A_u	1300	1300	28.43
13	A_u	1133	1133	145.82
14	A_u	734	734	223.09
15	A_u	372	372	5.15
16	A_u	349	349	31.45
17	A_u	164	164	2.67
18	A_u	66	66	1.06

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	-1.149
H4	-1.015	0.000	1.149
F5	-0.718	-1.109	-1.206
F6	0.718	1.109	1.206
Cl7	-0.797	1.511	-1.339
Cl8	0.797	-1.511	1.339

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5254	1.0857	2.1641	1.3936	2.3709	1.8027	2.7081
C2	1.5254		2.1641	1.0857	2.3709	1.3936	2.7081	1.8027
H3	1.0857	2.1641		3.0655	2.0583	2.6195	2.3669	2.9183
H4	2.1641	1.0857	3.0655		2.6195	2.0583	2.9183	2.3669
F5	1.3936	2.3709	2.0583	2.6195		3.5777	2.6241	2.9890
F6	2.3709	1.3936	2.6195	2.0583	3.5777		2.9890	2.6241
Cl7	1.8027	2.7081	2.3669	2.9183	2.6241	2.9890		4.3405
Cl8	2.7081	1.8027	2.9183	2.3669	2.9890	2.6241	4.3405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.823	C1	C2	F6	108.545
C1	C2	Cl8	108.638	C2	C1	H3	110.823
C2	C1	F5	108.545	C2	C1	Cl7	108.638
H3	C1	F5	111.632	H3	C1	Cl7	107.450
H4	C2	F6	111.632	H4	C2	Cl8	107.450
F5	C1	Cl7	109.706	F6	C2	Cl8	109.706

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

using model chemistry: B2PLYP=FULL/3-21G*

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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