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	hartrees
Energy at 0K	-277.786750
Energy at 298.15K
HF Energy	-276.962756
Nuclear repulsion energy	132.731798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3188	3188
2	A'	3095	3095
3	A'	3092	3092
4	A'	1502	1502
5	A'	1459	1459
6	A'	1407	1407
7	A'	1193	1193
8	A'	1163	1163
9	A'	886	886
10	A'	573	573
11	A'	466	466
12	A"	3184	3184
13	A"	1510	1510
14	A"	1436	1436
15	A"	1201	1201
16	A"	984	984
17	A"	374	374
18	A"	234	234

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.161	0.000
C2	-0.911	1.025	0.000
H3	1.262	0.733	0.000
F4	0.327	-0.641	1.093
F5	0.327	-0.641	-1.093
H6	-1.791	0.379	0.000
H7	-0.925	1.657	0.891
H8	-0.925	1.657	-0.891

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5093	1.0958	1.3561	1.3561	2.1293	2.1440	2.1440
C2	1.5093		2.1918	2.3460	2.3460	1.0921	1.0919	1.0919
H3	1.0958	2.1918		1.9895	1.9895	3.0733	2.5352	2.5352
F4	1.3561	2.3460	1.9895		2.1858	2.5928	2.6249	3.2838
F5	1.3561	2.3460	1.9895	2.1858		2.5928	3.2838	2.6249
H6	2.1293	1.0921	3.0733	2.5928	2.5928		1.7821	1.7821
H7	2.1440	1.0919	2.5352	2.6249	3.2838	1.7821		1.7812
H8	2.1440	1.0919	2.5352	3.2838	2.6249	1.7821	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.812	C1	C2	H7	109.985
C1	C2	H8	109.985	C2	C1	H3	113.621
C2	C1	F4	109.808	C2	C1	F5	109.808
H3	C1	F4	107.998	H3	C1	F5	107.998
F4	C1	F5	107.401	H6	C2	H7	109.368
H6	C2	H8	109.368	H7	C2	H8	109.306

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)

using model chemistry: CCSD(T)/6-31G(2df,p)

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 CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: CCSD(T)/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)