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	hartrees
Energy at 0K	-277.749278
Energy at 298.15K
HF Energy	-276.982381
Nuclear repulsion energy	130.897971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3146	3146
2	A'	3103	3103
3	A'	3045	3045
4	A'	1467	1467
5	A'	1428	1428
6	A'	1371	1371
7	A'	1151	1151
8	A'	1139	1139
9	A'	862	862
10	A'	552	552
11	A'	454	454
12	A"	3140	3140
13	A"	1469	1469
14	A"	1367	1367
15	A"	1128	1128
16	A"	936	936
17	A"	375	375
18	A"	230	230

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.172	0.000
C2	-0.909	1.045	0.000
H3	1.280	0.721	0.000
F4	0.325	-0.655	1.111
F5	0.325	-0.655	-1.111
H6	-1.807	0.408	0.000
H7	-0.907	1.683	0.898
H8	-0.907	1.683	-0.898

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5117	1.1020	1.3849	1.3849	2.1451	2.1471	2.1471
C2	1.5117		2.2126	2.3767	2.3767	1.1014	1.1018	1.1018
H3	1.1020	2.2126		2.0104	2.0104	3.1029	2.5527	2.5527
F4	1.3849	2.3767	2.0104		2.2217	2.6289	2.6519	3.3203
F5	1.3849	2.3767	2.0104	2.2217		2.6289	3.3203	2.6519
H6	2.1451	1.1014	3.1029	2.6289	2.6289		1.8007	1.8007
H7	2.1471	1.1018	2.5527	2.6519	3.3203	1.8007		1.7969
H8	2.1471	1.1018	2.5527	3.3203	2.6519	1.8007	1.7969

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.343	C1	C2	H7	109.480
C1	C2	H8	109.480	C2	C1	H3	114.769
C2	C1	F4	110.194	C2	C1	F5	110.194
H3	C1	F4	107.329	H3	C1	F5	107.329
F4	C1	F5	106.661	H6	C2	H7	109.632
H6	C2	H8	109.632	H7	C2	H8	109.260

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

using model chemistry: QCISD(T)=FULL/daug-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 CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: QCISD(T)=FULL/daug-cc-pVDZ

States and conformations

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