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	hartrees
Energy at 0K	-1197.271063
Energy at 298.15K	-1197.274519
HF Energy	-1197.271063
Nuclear repulsion energy	377.841725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3022	8.81
2	A'	3144	3008	17.31
3	A'	1430	1368	37.90
4	A'	1270	1215	1.00
5	A'	1149	1099	126.70
6	A'	1086	1039	17.26
7	A'	801	767	35.25
8	A'	570	546	7.87
9	A'	397	380	15.13
10	A'	346	331	10.35
11	A'	252	241	0.49
12	A"	1405	1344	16.82
13	A"	1274	1219	20.83
14	A"	1167	1117	142.65
15	A"	815	780	148.53
16	A"	394	377	2.39
17	A"	180	172	1.20
18	A"	76	73	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	-0.226	0.000
C2	-0.362	1.104	0.000
H3	1.477	-0.059	0.000
H4	-1.442	0.937	0.000
Cl5	-0.005	-1.140	1.473
Cl6	-0.005	-1.140	-1.473
F7	-0.005	1.813	1.096
F8	-0.005	1.813	-1.096

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5322	1.0925	2.1762	1.7794	1.7794	2.3496	2.3496
C2	1.5322		2.1762	1.0925	2.7085	2.7085	1.3530	1.3530
H3	1.0925	2.1762		3.0841	2.3525	2.3525	2.6268	2.6268
H4	2.1762	1.0925	3.0841		2.9239	2.9239	2.0082	2.0082
Cl5	1.7794	2.7085	2.3525	2.9239		2.9452	2.9772	3.9139
Cl6	1.7794	2.7085	2.3525	2.9239	2.9452		3.9139	2.9772
F7	2.3496	1.3530	2.6268	2.0082	2.9772	3.9139		2.1918
F8	2.3496	1.3530	2.6268	2.0082	3.9139	2.9772	2.1918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.906	C1	C2	F7	108.891
C1	C2	F8	108.891	C2	C1	H3	110.906
C2	C1	Cl5	109.519	C2	C1	Cl6	109.519
H3	C1	Cl5	107.585	H3	C1	Cl6	107.585
H4	C2	F7	109.951	H4	C2	F8	109.951
Cl5	C1	Cl6	111.705	F7	C2	F8	108.193

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

using model chemistry: B3PW91/6-31G*

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	-0.455
2	C	0.476
3	H	0.282
4	H	0.179
5	Cl	0.025
6	Cl	0.025
7	F	-0.266
8	F	-0.266

	x	y	z	Total
	0.033	0.123	0.000	0.127
CHELPG
AIM
ESP

	x	y	z
x	4.604	0.144	0.000
y	0.144	5.992	0.000
z	0.000	0.000	7.725

<r²>	242.844
(<r²>)^1/2	15.583

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

using model chemistry: B3PW91/6-31G*

States and conformations

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