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	hartrees
Energy at 0K	-277.307130
Energy at 298.15K
HF Energy	-276.854214
Nuclear repulsion energy	128.529291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3023	29.60
2	A'	3114	3000	18.94
3	A'	3044	2933	3.58
4	A'	1540	1484	4.95
5	A'	1486	1432	28.76
6	A'	1429	1377	29.65
7	A'	1194	1151	29.01
8	A'	1126	1085	70.60
9	A'	870	838	15.46
10	A'	534	515	12.48
11	A'	432	416	17.60
12	A"	3127	3014	11.66
13	A"	1540	1484	3.64
14	A"	1410	1359	35.50
15	A"	1178	1135	68.31
16	A"	963	928	68.30
17	A"	369	356	0.00
18	A"	252	243	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.330	0.190	0.000
C2	-0.920	1.044	0.000
H3	1.280	0.737	0.000
F4	0.330	-0.660	1.149
F5	0.330	-0.660	-1.149
H6	-1.803	0.388	0.000
H7	-0.942	1.680	0.897
H8	-0.942	1.680	-0.897

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5141	1.0961	1.4293	1.4293	2.1420	2.1545	2.1545
C2	1.5141		2.2214	2.4058	2.4058	1.0994	1.0995	1.0995
H3	1.0961	2.2214		2.0432	2.0432	3.1022	2.5749	2.5749
F4	1.4293	2.4058	2.0432		2.2978	2.6398	2.6753	3.3584
F5	1.4293	2.4058	2.0432	2.2978		2.6398	3.3584	2.6753
H6	2.1420	1.0994	3.1022	2.6398	2.6398		1.7924	1.7924
H7	2.1545	1.0995	2.5749	2.6753	3.3584	1.7924		1.7938
H8	2.1545	1.0995	2.5749	3.3584	2.6753	1.7924	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.055	C1	C2	H7	110.029
C1	C2	H8	110.029	C2	C1	H3	115.728
C2	C1	F4	109.607	C2	C1	F5	109.607
H3	C1	F4	107.271	H3	C1	F5	107.271
F4	C1	F5	106.984	H6	C2	H7	109.197
H6	C2	H8	109.197	H7	C2	H8	109.315

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

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

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