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	hartrees
Energy at 0K	-1193.852232
Energy at 298.15K	-1193.855645
HF Energy	-1193.852232
Nuclear repulsion energy	381.021522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3037	2980	7.20
2	A'	3022	2966	16.39
3	A'	1365	1339	43.02
4	A'	1211	1188	6.92
5	A'	1137	1116	96.65
6	A'	1083	1063	14.33
7	A'	794	779	30.57
8	A'	566	555	7.15
9	A'	392	384	11.79
10	A'	336	329	12.05
11	A'	247	242	0.51
12	A"	1339	1314	23.94
13	A"	1203	1181	12.00
14	A"	1171	1149	134.98
15	A"	812	797	144.53
16	A"	393	385	2.27
17	A"	174	171	1.14
18	A"	76	74	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	-0.226	0.000
C2	-0.360	1.087	0.000
H3	1.487	-0.041	0.000
H4	-1.450	0.902	0.000
Cl5	-0.005	-1.123	1.466
Cl6	-0.005	-1.123	-1.466
F7	-0.005	1.787	1.092
F8	-0.005	1.787	-1.092

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5166	1.1055	2.1650	1.7651	1.7651	2.3255	2.3255
C2	1.5166		2.1650	1.1055	2.6762	2.6762	1.3446	1.3446
H3	1.1055	2.1650		3.0853	2.3553	2.3553	2.6001	2.6001
H4	2.1650	1.1055	3.0853		2.8878	2.8878	2.0160	2.0160
Cl5	1.7651	2.6762	2.3553	2.8878		2.9317	2.9344	3.8745
Cl6	1.7651	2.6762	2.3553	2.8878	2.9317		3.8745	2.9344
F7	2.3255	1.3446	2.6001	2.0160	2.9344	3.8745		2.1833
F8	2.3255	1.3446	2.6001	2.0160	3.8745	2.9344	2.1833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.335	C1	C2	F7	108.583
C1	C2	F8	108.583	C2	C1	H3	110.335
C2	C1	Cl5	109.037	C2	C1	Cl6	109.037
H3	C1	Cl5	108.062	H3	C1	Cl6	108.062
H4	C2	F7	110.360	H4	C2	F8	110.360
Cl5	C1	Cl6	112.298	F7	C2	F8	108.563

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

using model chemistry: LSDA/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	-0.440
2	C	0.389
3	H	0.250
4	H	0.143
5	Cl	0.037
6	Cl	0.037
7	F	-0.207
8	F	-0.207

	x	y	z	Total
	0.113	0.180	0.000	0.213
CHELPG
AIM
ESP

	x	y	z
x	4.799	0.121	0.000
y	0.121	6.128	0.000
z	0.000	0.000	7.865

<r²>	238.668
(<r²>)^1/2	15.449

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

using model chemistry: LSDA/6-31G**

States and conformations

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