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	hartrees
Energy at 0K	-1195.700195
Energy at 298.15K	-1195.703747
HF Energy	-1194.785618
Nuclear repulsion energy	377.786308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3026	14.96
2	A'	3167	3016	10.34
3	A'	1427	1360	48.20
4	A'	1259	1199	1.76
5	A'	1160	1105	102.18
6	A'	1093	1041	43.64
7	A'	815	776	31.58
8	A'	580	552	7.28
9	A'	403	384	14.72
10	A'	347	331	11.02
11	A'	255	243	0.26
12	A"	1393	1326	18.66
13	A"	1247	1188	15.53
14	A"	1169	1114	154.63
15	A"	856	815	117.38
16	A"	404	384	1.01
17	A"	183	175	1.38
18	A"	82	78	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.228	0.000
C2	-0.359	1.098	0.000
H3	1.492	-0.052	0.000
H4	-1.446	0.922	0.000
Cl5	-0.006	-1.140	1.470
Cl6	-0.006	-1.140	-1.470
F7	-0.006	1.815	1.097
F8	-0.006	1.815	-1.097

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5311	1.1005	2.1794	1.7781	1.7781	2.3550	2.3550
C2	1.5311		2.1794	1.1005	2.7010	2.7010	1.3569	1.3569
H3	1.1005	2.1794		3.0947	2.3639	2.3639	2.6330	2.6330
H4	2.1794	1.1005	3.0947		2.9131	2.9131	2.0177	2.0177
Cl5	1.7781	2.7010	2.3639	2.9131		2.9402	2.9780	3.9140
Cl6	1.7781	2.7010	2.3639	2.9131	2.9402		3.9140	2.9780
F7	2.3550	1.3569	2.6330	2.0177	2.9780	3.9140		2.1941
F8	2.3550	1.3569	2.6330	2.0177	3.9140	2.9780	2.1941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.756	C1	C2	F7	109.113
C1	C2	F8	109.113	C2	C1	H3	110.756
C2	C1	Cl5	109.187	C2	C1	Cl6	109.187
H3	C1	Cl5	108.087	H3	C1	Cl6	108.087
H4	C2	F7	109.949	H4	C2	F8	109.949
Cl5	C1	Cl6	111.535	F7	C2	F8	107.904

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

using model chemistry: MP2/cc-pVDZ

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: MP2/cc-pVDZ

States and conformations

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