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	hartrees
Energy at 0K	-277.799466
Energy at 298.15K
HF Energy	-277.051026
Nuclear repulsion energy	133.888387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3016	16.16
2	A'	3213	2969	28.65
3	A'	3170	2929	2.48
4	A'	1559	1440	7.85
5	A'	1524	1408	70.23
6	A'	1464	1353	1.21
7	A'	1240	1146	102.73
8	A'	1211	1119	35.77
9	A'	922	852	7.19
10	A'	602	556	5.86
11	A'	493	455	14.90
12	A"	3261	3013	9.43
13	A"	1561	1442	0.28
14	A"	1474	1362	24.66
15	A"	1237	1143	177.18
16	A"	1019	942	49.82
17	A"	398	368	0.11
18	A"	249	230	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.159	0.000
C2	-0.897	1.028	0.000
H3	1.253	0.710	0.000
F4	0.321	-0.641	1.081
F5	0.321	-0.641	-1.081
H6	-1.780	0.405	0.000
H7	-0.899	1.654	0.881
H8	-0.899	1.654	-0.881

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4959	1.0826	1.3447	1.3447	2.1156	2.1211	2.1211
C2	1.4959		2.1726	2.3316	2.3316	1.0811	1.0808	1.0808
H3	1.0826	2.1726		1.9653	1.9653	3.0482	2.5091	2.5091
F4	1.3447	2.3316	1.9653		2.1613	2.5841	2.6067	3.2564
F5	1.3447	2.3316	1.9653	2.1613		2.5841	3.2564	2.6067
H6	2.1156	1.0811	3.0482	2.5841	2.5841		1.7642	1.7642
H7	2.1211	1.0808	2.5091	2.6067	3.2564	1.7642		1.7624
H8	2.1211	1.0808	2.5091	3.2564	2.6067	1.7642	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.307	C1	C2	H7	109.758
C1	C2	H8	109.758	C2	C1	H3	113.870
C2	C1	F4	110.224	C2	C1	F5	110.224
H3	C1	F4	107.642	H3	C1	F5	107.642
F4	C1	F5	106.961	H6	C2	H7	109.383
H6	C2	H8	109.383	H7	C2	H8	109.237

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

using model chemistry: CID/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: CID/6-311+G(3df,2p)

States and conformations

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