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	hartrees
Energy at 0K	-1197.455579
Energy at 298.15K	-1197.459115
HF Energy	-1197.455579
Nuclear repulsion energy	378.224807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3185	0.69
2	A	1438	1438	14.72
3	A	1335	1335	13.67
4	A	1169	1169	215.86
5	A	1108	1108	79.90
6	A	855	855	94.78
7	A	469	469	1.16
8	A	318	318	1.80
9	A	166	166	0.83
10	A	77	77	0.91
11	B	3197	3197	11.67
12	B	1379	1379	11.63
13	B	1261	1261	35.16
14	B	1142	1142	28.37
15	B	853	853	117.11
16	B	437	437	14.31
17	B	398	398	6.48
18	B	338	338	12.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.228	0.726	0.403
C2	0.228	-0.726	0.403
H3	-1.314	0.801	0.371
H4	1.314	-0.801	0.371
F5	0.228	1.289	1.547
F6	-0.228	-1.289	1.547
Cl7	0.444	1.604	-0.983
Cl8	-0.444	-1.604	-0.983

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5226	1.0889	2.1709	1.3539	2.3172	1.7730	2.7200
C2	1.5226		2.1709	1.0889	2.3172	1.3539	2.7200	1.7730
H3	1.0889	2.1709		3.0780	2.0001	2.6328	2.3594	2.8938
H4	2.1709	1.0889	3.0780		2.6328	2.0001	2.8938	2.3594
F5	1.3539	2.3172	2.0001	2.6328		2.6179	2.5587	3.9015
F6	2.3172	1.3539	2.6328	2.0001	2.6179		3.9015	2.5587
Cl7	1.7730	2.7200	2.3594	2.8938	2.5587	3.9015		3.3284
Cl8	2.7200	1.7730	2.8938	2.3594	3.9015	2.5587	3.3284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.376	C1	C2	F6	107.182
C1	C2	Cl8	111.015	C2	C1	H3	111.376
C2	C1	F5	107.182	C2	C1	Cl7	111.015
H3	C1	F5	109.442	H3	C1	Cl7	108.693
H4	C2	F6	109.442	H4	C2	Cl8	108.693
F5	C1	Cl7	109.093	F6	C2	Cl8	109.093

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

using model chemistry: M06-2X/6-311G*

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	-0.055
2	C	-0.055
3	H	0.289
4	H	0.289
5	F	-0.214
6	F	-0.214
7	Cl	-0.020
8	Cl	-0.020

	x	y	z	Total
	0.000	0.000	-0.346	0.346
CHELPG
AIM
ESP

	x	y	z
x	4.912	0.776	0.000
y	0.776	6.398	0.000
z	0.000	0.000	7.068

<r²>	245.447
(<r²>)^1/2	15.667