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	hartrees
Energy at 0K	-277.719332
Energy at 298.15K
HF Energy	-276.982786
Nuclear repulsion energy	131.100203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3157	20.25
2	A'	3121	3121	23.36
3	A'	3058	3058	3.69
4	A'	1478	1478	5.91
5	A'	1443	1443	62.01
6	A'	1383	1383	1.89
7	A'	1161	1161	40.92
8	A'	1152	1152	73.79
9	A'	870	870	11.61
10	A'	558	558	6.09
11	A'	459	459	13.04
12	A"	3150	3150	11.26
13	A"	1478	1478	0.36
14	A"	1380	1380	18.26
15	A"	1144	1144	146.25
16	A"	949	949	72.29
17	A"	379	379	0.13
18	A"	234	234	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.170	0.000
C2	-0.908	1.046	0.000
H3	1.279	0.719	0.000
F4	0.324	-0.655	1.108
F5	0.324	-0.655	-1.108
H6	-1.807	0.411	0.000
H7	-0.905	1.683	0.898
H8	-0.905	1.683	-0.898

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5114	1.1010	1.3815	1.3815	2.1450	2.1466	2.1466
C2	1.5114		2.2106	2.3746	2.3746	1.1008	1.1012	1.1012
H3	1.1010	2.2106		2.0068	2.0068	3.1011	2.5506	2.5506
F4	1.3815	2.3746	2.0068		2.2155	2.6282	2.6506	3.3172
F5	1.3815	2.3746	2.0068	2.2155		2.6282	3.3172	2.6506
H6	2.1450	1.1008	3.1011	2.6282	2.6282		1.7994	1.7994
H7	2.1466	1.1012	2.5506	2.6506	3.3172	1.7994		1.7958
H8	2.1466	1.1012	2.5506	3.3172	2.6506	1.7994	1.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.392	C1	C2	H7	109.491
C1	C2	H8	109.491	C2	C1	H3	114.689
C2	C1	F4	110.254	C2	C1	F5	110.254
H3	C1	F4	107.336	H3	C1	F5	107.336
F4	C1	F5	106.606	H6	C2	H7	109.602
H6	C2	H8	109.602	H7	C2	H8	109.249

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

using model chemistry: QCISD/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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