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	hartrees
Energy at 0K	-1182.955003
Energy at 298.15K	-1182.957977
HF Energy	-1182.894899
Nuclear repulsion energy	362.993650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3338	3338	0.44
2	A	1470	1470	11.51
3	A	1342	1342	29.99
4	A	1242	1242	94.66
5	A	1059	1059	3.84
6	A	852	852	44.88
7	A	457	457	5.65
8	A	268	268	0.12
9	A	140	140	0.73
10	A	53	53	1.28
11	B	3344	3344	0.47
12	B	1418	1418	11.81
13	B	1269	1269	36.92
14	B	1247	1247	2.49
15	B	851	851	69.52
16	B	434	434	11.80
17	B	377	377	5.96
18	B	307	307	11.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.200	0.778	0.428
C2	0.200	-0.778	0.428
H3	-1.299	0.899	0.258
H4	1.299	-0.899	0.258
F5	0.200	1.364	1.614
F6	-0.200	-1.364	1.614
Cl7	0.642	1.602	-1.021
Cl8	-0.642	-1.602	-1.021

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6073	1.1192	2.2564	1.3815	2.4490	1.8672	2.8219
C2	1.6073		2.2564	1.1192	2.4490	1.3815	2.8219	1.8672
H3	1.1192	2.2564		3.1604	2.0739	2.8586	2.4284	2.8857
H4	2.2564	1.1192	3.1604		2.8586	2.0739	2.8857	2.4284
F5	1.3815	2.4490	2.0739	2.8586		2.7581	2.6819	4.0560
F6	2.4490	1.3815	2.8586	2.0739	2.7581		4.0560	2.6819
Cl7	1.8672	2.8219	2.4284	2.8857	2.6819	4.0560		3.4522
Cl8	2.8219	1.8672	2.8857	2.4284	4.0560	2.6819	3.4522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.418	C1	C2	F6	109.817
C1	C2	Cl8	108.386	C2	C1	H3	110.418
C2	C1	F5	109.817	C2	C1	Cl7	108.386
H3	C1	F5	111.634	H3	C1	Cl7	106.088
H4	C2	F6	111.634	H4	C2	Cl8	106.088
F5	C1	Cl7	110.392	F6	C2	Cl8	110.392

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.101
2	C	0.101
3	H	0.115
4	H	0.115
5	F	-0.059
6	F	-0.059
7	Cl	-0.157
8	Cl	-0.157

	x	y	z	Total
	0.000	0.000	2.181	2.181
CHELPG
AIM
ESP

	x	y	z
x	2.362	0.827	0.000
y	0.827	3.046	0.000
z	0.000	0.000	4.461

<r²>	260.924
(<r²>)^1/2	16.153