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	hartrees
Energy at 0K	-277.732825
Energy at 298.15K
HF Energy	-276.980481
Nuclear repulsion energy	130.757969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3144	3026
2	A'	3103	2987
3	A'	3044	2930
4	A'	1464	1409
5	A'	1426	1372
6	A'	1367	1315
7	A'	1150	1106
8	A'	1136	1094
9	A'	861	829
10	A'	549	528
11	A'	452	435
12	A"	3137	3019
13	A"	1465	1410
14	A"	1364	1313
15	A"	1127	1085
16	A"	935	900
17	A"	372	358
18	A"	230	222

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.173	0.000
C2	-0.911	1.046	0.000
H3	1.283	0.722	0.000
F4	0.325	-0.656	1.111
F5	0.325	-0.656	-1.111
H6	-1.808	0.405	0.000
H7	-0.910	1.684	0.900
H8	-0.910	1.684	-0.900

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5131	1.1033	1.3868	1.3868	2.1464	2.1493	2.1493
C2	1.5131		2.2170	2.3792	2.3792	1.1031	1.1033	1.1033
H3	1.1033	2.2170		2.0129	2.0129	3.1072	2.5581	2.5581
F4	1.3868	2.3792	2.0129		2.2224	2.6294	2.6552	3.3242
F5	1.3868	2.3792	2.0129	2.2224		2.6294	3.3242	2.6552
H6	2.1464	1.1031	3.1072	2.6294	2.6294		1.8037	1.8037
H7	2.1493	1.1033	2.5581	2.6552	3.3242	1.8037		1.7998
H8	2.1493	1.1033	2.5581	3.3242	2.6552	1.8037	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.247	C1	C2	H7	109.471
C1	C2	H8	109.471	C2	C1	H3	114.945
C2	C1	F4	110.182	C2	C1	F5	110.182
H3	C1	F4	107.320	H3	C1	F5	107.320
F4	C1	F5	106.503	H6	C2	H7	109.667
H6	C2	H8	109.667	H7	C2	H8	109.306

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

using model chemistry: CCSD(T)/aug-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: CCSD(T)/aug-cc-pVDZ

States and conformations

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