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	hartrees
Energy at 0K	-277.975853
Energy at 298.15K
HF Energy	-277.058632
Nuclear repulsion energy	132.188142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3149	3044
2	A'	3093	2990
3	A'	3056	2954
4	A'	1495	1445
5	A'	1445	1397
6	A'	1396	1350
7	A'	1165	1127
8	A'	1157	1118
9	A'	876	847
10	A'	565	547
11	A'	465	449
12	A"	3145	3041
13	A"	1497	1447
14	A"	1389	1343
15	A"	1156	1118
16	A"	960	928
17	A"	379	366
18	A"	225	218

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.168	0.000
C2	-0.905	1.035	0.000
H3	1.267	0.719	0.000
F4	0.324	-0.648	1.098
F5	0.324	-0.648	-1.098
H6	-1.791	0.399	0.000
H7	-0.910	1.666	0.890
H8	-0.910	1.666	-0.890

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5045	1.0918	1.3685	1.3685	2.1278	2.1345	2.1345
C2	1.5045		2.1950	2.3562	2.3562	1.0907	1.0905	1.0905
H3	1.0918	2.1950		1.9910	1.9910	3.0746	2.5346	2.5346
F4	1.3685	2.3562	1.9910		2.1968	2.6032	2.6304	3.2907
F5	1.3685	2.3562	1.9910	2.1968		2.6032	3.2907	2.6304
H6	2.1278	1.0907	3.0746	2.6032	2.6032		1.7816	1.7816
H7	2.1345	1.0905	2.5346	2.6304	3.2907	1.7816		1.7797
H8	2.1345	1.0905	2.5346	3.2907	2.6304	1.7816	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.104	C1	C2	H7	109.651
C1	C2	H8	109.651	C2	C1	H3	114.501
C2	C1	F4	110.108	C2	C1	F5	110.108
H3	C1	F4	107.515	H3	C1	F5	107.515
F4	C1	F5	106.766	H6	C2	H7	109.525
H6	C2	H8	109.525	H7	C2	H8	109.372

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

using model chemistry: QCISD(T)/aug-cc-pVTZ

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)/aug-cc-pVTZ

States and conformations

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