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	hartrees
Energy at 0K	-1296.816993
Energy at 298.15K	-1296.819950
HF Energy	-1296.816993
Nuclear repulsion energy	491.498222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3035	3.72
2	A'	1354	1295	72.95
3	A'	1297	1240	201.92
4	A'	1170	1119	196.55
5	A'	889	850	20.52
6	A'	777	743	16.44
7	A'	682	652	27.02
8	A'	533	509	5.20
9	A'	382	365	0.68
10	A'	264	252	0.49
11	A'	215	206	0.75
12	A"	1237	1182	23.84
13	A"	1212	1158	208.36
14	A"	847	810	124.64
15	A"	564	539	4.45
16	A"	359	343	0.13
17	A"	185	177	1.33
18	A"	71	67	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.565	-0.338	0.000
C2	-0.173	1.014	0.000
H3	1.632	-0.142	0.000
Cl4	0.181	-1.252	1.464
Cl5	0.181	-1.252	-1.464
F6	-1.489	0.870	0.000
F7	0.181	1.712	1.077
F8	0.181	1.712	-1.077

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5404	1.0847	1.7682	1.7682	2.3830	2.3467	2.3467
C2	1.5404		2.1442	2.7208	2.7208	1.3237	1.3310	1.3310
H3	1.0847	2.1442		2.3410	2.3410	3.2814	2.5891	2.5891
Cl4	1.7682	2.7208	2.3410		2.9282	3.0714	2.9884	3.9035
Cl5	1.7682	2.7208	2.3410	2.9282		3.0714	3.9035	2.9884
F6	2.3830	1.3237	3.2814	3.0714	3.0714		2.1580	2.1580
F7	2.3467	1.3310	2.5891	2.9884	3.9035	2.1580		2.1538
F8	2.3467	1.3310	2.5891	3.9035	2.9884	2.1580	2.1538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.393	C1	C2	F7	109.409
C1	C2	F8	109.409	C2	C1	H3	108.276
C2	C1	Cl4	110.451	C2	C1	Cl5	110.451
H3	C1	Cl4	107.870	H3	C1	Cl5	107.870
Cl4	C1	Cl5	111.788	F6	C2	F7	108.758
F6	C2	F8	108.758	F7	C2	F8	108.015

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.090
2	C	0.496
3	H	0.157
4	Cl	-0.061
5	Cl	-0.061
6	F	-0.141
7	F	-0.150
8	F	-0.150

	x	y	z	Total
	1.279	-0.193	0.000	1.294
CHELPG
AIM
ESP

	x	y	z
x	5.581	0.117	0.000
y	0.117	6.912	0.000
z	0.000	0.000	8.570

<r²>	271.950
(<r²>)^1/2	16.491

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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