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	hartrees
Energy at 0K	-1182.955317
Energy at 298.15K
HF Energy	-1182.894912
Nuclear repulsion energy	363.025852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3338	3338	0.43
2	A	1469	1469	11.51
3	A	1342	1342	30.00
4	A	1242	1242	94.53
5	A	1060	1060	3.82
6	A	852	852	44.86
7	A	457	457	5.66
8	A	268	268	0.12
9	A	140	140	0.72
10	A	53	53	1.28
11	B	3344	3344	0.47
12	B	1418	1418	11.75
13	B	1269	1269	36.97
14	B	1246	1246	2.42
15	B	851	851	69.46
16	B	434	434	11.78
17	B	377	377	5.94
18	B	307	307	11.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.200	0.778	0.428
C2	0.200	-0.778	0.428
H3	-1.300	0.898	0.260
H4	1.300	-0.898	0.260
F5	0.200	1.364	1.614
F6	-0.200	-1.364	1.614
Cl7	0.640	1.603	-1.021
Cl8	-0.640	-1.603	-1.021

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6068	1.1191	2.2559	1.3817	2.4480	1.8671	2.8217
C2	1.6068		2.2559	1.1191	2.4480	1.3817	2.8217	1.8671
H3	1.1191	2.2559		3.1602	2.0740	2.8567	2.4287	2.8864
H4	2.2559	1.1191	3.1602		2.8567	2.0740	2.8864	2.4287
F5	1.3817	2.4480	2.0740	2.8567		2.7564	2.6821	4.0556
F6	2.4480	1.3817	2.8567	2.0740	2.7564		4.0556	2.6821
Cl7	1.8671	2.8217	2.4287	2.8864	2.6821	4.0556		3.4515
Cl8	2.8217	1.8671	2.8864	2.4287	4.0556	2.6821	3.4515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.421	C1	C2	F6	109.771
C1	C2	Cl8	108.404	C2	C1	H3	110.421
C2	C1	F5	109.771	C2	C1	Cl7	108.404
H3	C1	F5	111.629	H3	C1	Cl7	106.112
H4	C2	F6	111.629	H4	C2	Cl8	106.112
F5	C1	Cl7	110.402	F6	C2	Cl8	110.402

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

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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