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	hartrees
Energy at 0K	-1196.020498
Energy at 298.15K	-1196.024157
HF Energy	-1194.852282
Nuclear repulsion energy	379.945276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3211	17.99
2	A'	3199	3199	3.56
3	A'	1480	1480	48.68
4	A'	1303	1303	1.06
5	A'	1193	1193	131.00
6	A'	1117	1117	31.40
7	A'	834	834	29.68
8	A'	597	597	8.66
9	A'	416	416	16.52
10	A'	357	357	10.85
11	A'	265	265	0.29
12	A"	1436	1436	20.75
13	A"	1318	1318	21.15
14	A"	1212	1212	146.25
15	A"	882	882	117.63
16	A"	414	414	0.93
17	A"	191	191	1.56
18	A"	83	83	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.231	0.000
C2	-0.354	1.094	0.000
H3	1.478	-0.056	0.000
H4	-1.428	0.920	0.000
Cl5	-0.007	-1.135	1.464
Cl6	-0.007	-1.135	-1.464
F7	-0.007	1.807	1.086
F8	-0.007	1.807	-1.086

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5263	1.0879	2.1632	1.7687	1.7687	2.3455	2.3455
C2	1.5263		2.1632	1.0879	2.6888	2.6888	1.3445	1.3445
H3	1.0879	2.1632		3.0653	2.3473	2.3473	2.6186	2.6186
H4	2.1632	1.0879	3.0653		2.8950	2.8950	1.9963	1.9963
Cl5	1.7687	2.6888	2.3473	2.8950		2.9273	2.9662	3.8928
Cl6	1.7687	2.6888	2.3473	2.8950	2.9273		3.8928	2.9662
F7	2.3455	1.3445	2.6186	1.9963	2.9662	3.8928		2.1711
F8	2.3455	1.3445	2.6186	1.9963	3.8928	2.9662	2.1711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.558	C1	C2	F7	109.411
C1	C2	F8	109.411	C2	C1	H3	110.558
C2	C1	Cl5	109.154	C2	C1	Cl6	109.154
H3	C1	Cl5	108.139	H3	C1	Cl6	108.139
H4	C2	F7	109.861	H4	C2	F8	109.861
Cl5	C1	Cl6	111.691	F7	C2	F8	107.685

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

using model chemistry: MP3=FULL/6-311G**

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

using model chemistry: MP3=FULL/6-311G**

States and conformations

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