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	hartrees
Energy at 0K	-278.041138
Energy at 298.15K
HF Energy	-277.049986
Nuclear repulsion energy	132.679591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3161	3161
2	A'	3099	3099
3	A'	3069	3069
4	A'	1500	1500
5	A'	1453	1453
6	A'	1400	1400
7	A'	1174	1174
8	A'	1164	1164
9	A'	884	884
10	A'	574	574
11	A'	471	471
12	A"	3159	3159
13	A"	1502	1502
14	A"	1405	1405
15	A"	1165	1165
16	A"	964	964
17	A"	383	383
18	A"	240	240

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.165	0.000
C2	-0.903	1.031	0.000
H3	1.264	0.718	0.000
F4	0.323	-0.645	1.094
F5	0.323	-0.645	-1.094
H6	-1.788	0.396	0.000
H7	-0.908	1.661	0.888
H8	-0.908	1.661	-0.888

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5009	1.0914	1.3613	1.3613	2.1238	2.1318	2.1318
C2	1.5009		2.1891	2.3471	2.3471	1.0892	1.0889	1.0889
H3	1.0914	2.1891		1.9850	1.9850	3.0689	2.5294	2.5294
F4	1.3613	2.3471	1.9850		2.1883	2.5959	2.6227	3.2809
F5	1.3613	2.3471	1.9850	2.1883		2.5959	3.2809	2.6227
H6	2.1238	1.0892	3.0689	2.5959	2.5959		1.7781	1.7781
H7	2.1318	1.0889	2.5294	2.6227	3.2809	1.7781		1.7758
H8	2.1318	1.0889	2.5294	3.2809	2.6227	1.7781	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.131	C1	C2	H7	109.779
C1	C2	H8	109.779	C2	C1	H3	114.310
C2	C1	F4	110.079	C2	C1	F5	110.079
H3	C1	F4	107.548	H3	C1	F5	107.548
F4	C1	F5	106.977	H6	C2	H7	109.443
H6	C2	H8	109.443	H7	C2	H8	109.252

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

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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