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	hartrees
Energy at 0K	-1293.595895
Energy at 298.15K	-1293.599140
HF Energy	-1293.595895
Nuclear repulsion energy	494.631959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3370	3028	3.00
2	A'	1518	1364	98.25
3	A'	1453	1306	243.98
4	A'	1309	1176	207.13
5	A'	966	868	29.90
6	A'	839	753	20.24
7	A'	734	660	40.81
8	A'	570	512	9.74
9	A'	412	370	0.88
10	A'	287	258	0.90
11	A'	231	207	1.45
12	A"	1410	1267	69.75
13	A"	1381	1241	190.19
14	A"	936	841	137.59
15	A"	608	546	7.02
16	A"	389	350	0.00
17	A"	203	182	2.08
18	A"	80	72	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.558	-0.334	0.000
C2	-0.171	1.009	0.000
H3	1.615	-0.134	0.000
Cl4	0.179	-1.246	1.461
Cl5	0.179	-1.246	-1.461
F6	-1.473	0.872	0.000
F7	0.179	1.700	1.064
F8	0.179	1.700	-1.064

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5277	1.0752	1.7633	1.7633	2.3624	2.3269	2.3269
C2	1.5277		2.1200	2.7091	2.7091	1.3099	1.3164	1.3164
H3	1.0752	2.1200		2.3304	2.3304	3.2479	2.5612	2.5612
Cl4	1.7633	2.7091	2.3304		2.9212	3.0575	2.9730	3.8801
Cl5	1.7633	2.7091	2.3304	2.9212		3.0575	3.8801	2.9730
F6	2.3624	1.3099	3.2479	3.0575	3.0575		2.1329	2.1329
F7	2.3269	1.3164	2.5612	2.9730	3.8801	2.1329		2.1280
F8	2.3269	1.3164	2.5612	3.8801	2.9730	2.1329	2.1280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.495	C1	C2	F7	109.575
C1	C2	F8	109.575	C2	C1	H3	107.801
C2	C1	Cl4	110.608	C2	C1	Cl5	110.608
H3	C1	Cl4	107.903	H3	C1	Cl5	107.903
Cl4	C1	Cl5	111.856	F6	C2	F7	108.612
F6	C2	F8	108.612	F7	C2	F8	107.855

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.456
2	C	1.125
3	H	0.289
4	Cl	0.029
5	Cl	0.029
6	F	-0.329
7	F	-0.344
8	F	-0.344

	x	y	z	Total
	1.419	-0.018	0.000	1.419
CHELPG
AIM
ESP

	x	y	z
x	4.354	0.194	0.000
y	0.194	5.513	0.000
z	0.000	0.000	7.193

<r²>	269.901
(<r²>)^1/2	16.429

All results from a given calculation for CF3CHCl2 (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)