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	hartrees
Energy at 0K	-1183.410896
Energy at 298.15K	-1183.413515
HF Energy	-1183.410896
Nuclear repulsion energy	358.531758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	2918	1.40
2	A'	3130	2896	17.74
3	A'	1347	1246	9.72
4	A'	1224	1133	26.91
5	A'	1089	1007	40.79
6	A'	927	858	14.37
7	A'	758	701	33.00
8	A'	510	472	8.28
9	A'	347	321	5.89
10	A'	298	275	10.47
11	A'	209	193	2.86
12	A"	1349	1248	11.87
13	A"	1254	1160	24.74
14	A"	1149	1063	37.98
15	A"	828	766	111.30
16	A"	347	321	1.08
17	A"	131	121	0.28
18	A"	27	25	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.246	0.000
C2	-0.392	1.194	0.000
H3	1.520	-0.066	0.000
H4	-1.508	1.014	0.000
Cl5	-0.002	-1.206	1.551
Cl6	-0.002	-1.206	-1.551
F7	-0.002	1.910	1.156
F8	-0.002	1.910	-1.156

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.6452	1.1310	2.2895	1.8687	1.8687	2.4798	2.4798
C2	1.6452		2.2895	1.1310	2.8845	2.8845	1.4146	1.4146
H3	1.1310	2.2895		3.2149	2.4541	2.4541	2.7486	2.7486
H4	2.2895	1.1310	3.2149		3.0990	3.0990	2.1000	2.1000
Cl5	1.8687	2.8845	2.4541	3.0990		3.1019	3.1415	4.1279
Cl6	1.8687	2.8845	2.4541	3.0990	3.1019		4.1279	3.1415
F7	2.4798	1.4146	2.7486	2.1000	3.1415	4.1279		2.3117
F8	2.4798	1.4146	2.7486	2.1000	4.1279	3.1415	2.3117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.728	C1	C2	F7	108.043
C1	C2	F8	108.043	C2	C1	H3	109.728
C2	C1	Cl5	110.185	C2	C1	Cl6	110.185
H3	C1	Cl5	107.222	H3	C1	Cl6	107.222
H4	C2	F7	110.677	H4	C2	F8	110.677
Cl5	C1	Cl6	112.192	F7	C2	F8	109.595

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: BLYP/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	-0.016
2	C	0.129
3	H	0.127
4	H	0.088
5	Cl	-0.110
6	Cl	-0.110
7	F	-0.055
8	F	-0.055

	x	y	z	Total
	0.305	1.735	0.000	1.761
CHELPG
AIM
ESP

	x	y	z
x	1.945	0.261	0.000
y	0.261	3.745	0.000
z	0.000	0.000	5.346

<r²>	265.000
(<r²>)^1/2	16.279

All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)