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	hartrees
Energy at 0K	-90.139782
Energy at 298.15K	-90.143297
HF Energy	-89.246186
Nuclear repulsion energy	136.330437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3042	16.22
2	A'	3175	3025	2.34
3	A'	1451	1382	36.32
4	A'	1276	1216	0.30
5	A'	1153	1098	97.14
6	A'	1085	1034	57.97
7	A'	817	778	33.69
8	A'	567	540	6.80
9	A'	402	383	19.79
10	A'	348	331	11.21
11	A'	253	241	0.24
12	A"	1389	1324	10.46
13	A"	1280	1219	21.40
14	A"	1129	1075	170.17
15	A"	859	818	124.07
16	A"	399	380	0.64
17	A"	181	173	1.44
18	A"	82	78	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.418	-0.233	0.000
C2	-0.363	1.093	0.000
H3	1.497	-0.063	0.000
H4	-1.442	0.923	0.000
Cl5	-0.007	-1.144	1.474
Cl6	-0.007	-1.144	-1.474
F7	-0.007	1.826	1.104
F8	-0.007	1.826	-1.104

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5384	1.0925	2.1897	1.7843	1.7843	2.3743	2.3743
C2	1.5384		2.1897	1.0925	2.7019	2.7019	1.3716	1.3716
H3	1.0925	2.1897		3.0999	2.3675	2.3675	2.6551	2.6551
H4	2.1897	1.0925	3.0999		2.9155	2.9155	2.0224	2.0224
Cl5	1.7843	2.7019	2.3675	2.9155		2.9483	2.9925	3.9322
Cl6	1.7843	2.7019	2.3675	2.9155	2.9483		3.9322	2.9925
F7	2.3743	1.3716	2.6551	2.0224	2.9925	3.9322		2.2071
F8	2.3743	1.3716	2.6551	2.0224	3.9322	2.9925	2.2071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.547	C1	C2	F7	109.221
C1	C2	F8	109.221	C2	C1	H3	111.547
C2	C1	Cl5	108.589	C2	C1	Cl6	108.589
H3	C1	Cl5	108.360	H3	C1	Cl6	108.360
H4	C2	F7	109.806	H4	C2	F8	109.806
Cl5	C1	Cl6	111.420	F7	C2	F8	107.135

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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