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	hartrees
Energy at 0K	-1196.917770
Energy at 298.15K	-1196.921254
HF Energy	-1196.624467
Nuclear repulsion energy	376.250731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3177	3013	0.79
2	A	1436	1362	8.00
3	A	1340	1271	25.08
4	A	1153	1093	147.56
5	A	1100	1043	101.42
6	A	846	802	93.00
7	A	459	436	2.26
8	A	316	300	1.30
9	A	165	157	0.72
10	A	81	77	0.64
11	B	3188	3023	14.52
12	B	1379	1308	8.15
13	B	1272	1206	33.60
14	B	1117	1059	22.11
15	B	831	788	115.77
16	B	437	415	11.99
17	B	389	369	8.23
18	B	338	320	11.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	0.728	0.395
C2	0.227	-0.728	0.395
H3	-1.313	0.807	0.353
H4	1.313	-0.807	0.353
F5	0.227	1.282	1.557
F6	-0.227	-1.282	1.557
Cl7	0.458	1.621	-0.984
Cl8	-0.458	-1.621	-0.984

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5258	1.0895	2.1744	1.3649	2.3220	1.7800	2.7341
C2	1.5258		2.1744	1.0895	2.3220	1.3649	2.7341	1.7800
H3	1.0895	2.1744		3.0814	2.0113	2.6440	2.3641	2.9003
H4	2.1744	1.0895	3.0814		2.6440	2.0113	2.9003	2.3641
F5	1.3649	2.3220	2.0113	2.6440		2.6033	2.5746	3.9185
F6	2.3220	1.3649	2.6440	2.0113	2.6033		3.9185	2.5746
Cl7	1.7800	2.7341	2.3641	2.9003	2.5746	3.9185		3.3690
Cl8	2.7341	1.7800	2.9003	2.3641	3.9185	2.5746	3.3690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.398	C1	C2	F6	106.757
C1	C2	Cl8	111.364	C2	C1	H3	111.398
C2	C1	F5	106.757	C2	C1	Cl7	111.364
H3	C1	F5	109.558	H3	C1	Cl7	108.540
H4	C2	F6	109.558	H4	C2	Cl8	108.540
F5	C1	Cl7	109.186	F6	C2	Cl8	109.186

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

using model chemistry: B2PLYP=FULL/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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