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	hartrees
Energy at 0K	-1197.060107
Energy at 298.15K	-1197.063618
HF Energy	-1197.060107
Nuclear repulsion energy	377.862851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3139	3014	0.46
2	A	1410	1355	11.42
3	A	1308	1257	9.75
4	A	1144	1099	186.57
5	A	1086	1043	107.89
6	A	840	807	102.32
7	A	464	446	2.01
8	A	316	303	1.45
9	A	167	161	0.76
10	A	78	75	0.66
11	B	3150	3026	12.41
12	B	1356	1302	9.48
13	B	1238	1189	32.95
14	B	1107	1064	30.03
15	B	831	798	115.84
16	B	437	420	11.47
17	B	394	378	7.93
18	B	332	319	12.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.729	0.398
C2	0.222	-0.729	0.398
H3	-1.308	0.813	0.348
H4	1.308	-0.813	0.348
F5	0.222	1.291	1.549
F6	-0.222	-1.291	1.549
Cl7	0.468	1.602	-0.981
Cl8	-0.468	-1.602	-0.981

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5237	1.0902	2.1726	1.3556	2.3245	1.7726	2.7196
C2	1.5237		2.1726	1.0902	2.3245	1.3556	2.7196	1.7726
H3	1.0902	2.1726		3.0799	2.0030	2.6546	2.3545	2.8817
H4	2.1726	1.0902	3.0799		2.6546	2.0030	2.8817	2.3545
F5	1.3556	2.3245	2.0030	2.6546		2.6201	2.5609	3.9049
F6	2.3245	1.3556	2.6546	2.0030	2.6201		3.9049	2.5609
Cl7	1.7726	2.7196	2.3545	2.8817	2.5609	3.9049		3.3381
Cl8	2.7196	1.7726	2.8817	2.3545	3.9049	2.5609	3.3381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.365	C1	C2	F6	107.529
C1	C2	Cl8	110.961	C2	C1	H3	111.365
C2	C1	F5	107.529	C2	C1	Cl7	110.961
H3	C1	F5	109.491	H3	C1	Cl7	108.292
H4	C2	F6	109.491	H4	C2	Cl8	108.292
F5	C1	Cl7	109.176	F6	C2	Cl8	109.176

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

using model chemistry: HSEh1PBE/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	0.040
2	C	0.040
3	H	0.200
4	H	0.200
5	F	-0.202
6	F	-0.202
7	Cl	-0.038
8	Cl	-0.038

	x	y	z	Total
	0.000	0.000	-0.283	0.283
CHELPG
AIM
ESP

	x	y	z
x	4.972	0.765	0.000
y	0.765	6.511	0.000
z	0.000	0.000	7.092

<r²>	245.748
(<r²>)^1/2	15.676