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	hartrees
Energy at 0K	-1191.179758
Energy at 298.15K	-1191.183087
HF Energy	-1190.943623
Nuclear repulsion energy	372.969749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3180	1.46
2	A	1431	1431	0.65
3	A	1337	1337	24.04
4	A	1114	1114	110.16
5	A	1053	1053	46.55
6	A	801	801	85.86
7	A	431	431	4.10
8	A	289	289	1.27
9	A	162	162	1.39
10	A	78	78	0.69
11	B	3195	3195	7.69
12	B	1369	1369	3.72
13	B	1291	1291	23.24
14	B	1082	1082	10.23
15	B	772	772	111.96
16	B	403	403	8.32
17	B	366	366	19.58
18	B	339	339	10.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.724	0.409
C2	0.244	-0.724	0.409
H3	-1.329	0.768	0.379
H4	1.329	-0.768	0.379
F5	0.244	1.310	1.585
F6	-0.244	-1.310	1.585
Cl7	0.407	1.615	-1.006
Cl8	-0.407	-1.615	-1.006

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5279	1.0862	2.1680	1.4012	2.3494	1.7943	2.7383
C2	1.5279		2.1680	1.0862	2.3494	1.4012	2.7383	1.7943
H3	1.0862	2.1680		3.0695	2.0545	2.6364	2.3761	2.9060
H4	2.1680	1.0862	3.0695		2.6364	2.0545	2.9060	2.3761
F5	1.4012	2.3494	2.0545	2.6364		2.6654	2.6137	3.9610
F6	2.3494	1.4012	2.6364	2.0545	2.6654		3.9610	2.6137
Cl7	1.7943	2.7383	2.3761	2.9060	2.6137	3.9610		3.3300
Cl8	2.7383	1.7943	2.9060	2.3761	3.9610	2.6137	3.3300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.936	C1	C2	F6	106.582
C1	C2	Cl8	110.771	C2	C1	H3	110.936
C2	C1	F5	106.582	C2	C1	Cl7	110.771
H3	C1	F5	110.741	H3	C1	Cl7	108.655
H4	C2	F6	110.741	H4	C2	Cl8	108.655
F5	C1	Cl7	109.140	F6	C2	Cl8	109.140

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

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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