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	hartrees
Energy at 0K	-277.819837
Energy at 298.15K
HF Energy	-277.070161
Nuclear repulsion energy	133.734471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3265	18.33
2	A'	3220	3220	31.48
3	A'	3173	3173	2.70
4	A'	1554	1554	10.77
5	A'	1524	1524	70.87
6	A'	1464	1464	0.97
7	A'	1237	1237	106.62
8	A'	1210	1210	32.95
9	A'	919	919	7.48
10	A'	601	601	6.03
11	A'	492	492	14.45
12	A"	3262	3262	9.80
13	A"	1555	1555	0.05
14	A"	1472	1472	26.74
15	A"	1237	1237	174.30
16	A"	1019	1019	48.36
17	A"	398	398	0.08
18	A"	246	246	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.160	0.000
C2	-0.895	1.030	0.000
H3	1.251	0.710	0.000
F4	0.321	-0.643	1.083
F5	0.321	-0.643	-1.083
H6	-1.779	0.409	0.000
H7	-0.896	1.655	0.881
H8	-0.896	1.655	-0.881

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4952	1.0809	1.3477	1.3477	2.1146	2.1200	2.1200
C2	1.4952		2.1700	2.3341	2.3341	1.0806	1.0804	1.0804
H3	1.0809	2.1700		1.9665	1.9665	3.0453	2.5064	2.5064
F4	1.3477	2.3341	1.9665		2.1660	2.5860	2.6081	3.2586
F5	1.3477	2.3341	1.9665	2.1660		2.5860	3.2586	2.6081
H6	2.1146	1.0806	3.0453	2.5860	2.5860		1.7635	1.7635
H7	2.1200	1.0804	2.5064	2.6081	3.2586	1.7635		1.7619
H8	2.1200	1.0804	2.5064	3.2586	2.6081	1.7635	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.303	C1	C2	H7	109.749
C1	C2	H8	109.749	C2	C1	H3	113.811
C2	C1	F4	110.272	C2	C1	F5	110.272
H3	C1	F4	107.631	H3	C1	F5	107.631
F4	C1	F5	106.947	H6	C2	H7	109.384
H6	C2	H8	109.384	H7	C2	H8	109.258

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

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

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