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	hartrees
Energy at 0K	-277.572122
Energy at 298.15K
HF Energy	-276.942499
Nuclear repulsion energy	131.864520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3031	16.79
2	A'	3124	2975	47.61
3	A'	3092	2944	3.93
4	A'	1536	1463	4.73
5	A'	1495	1423	73.39
6	A'	1438	1370	5.97
7	A'	1200	1143	36.71
8	A'	1186	1130	77.33
9	A'	901	858	9.26
10	A'	571	544	7.19
11	A'	468	446	13.52
12	A"	3180	3028	12.16
13	A"	1537	1464	0.11
14	A"	1449	1379	42.85
15	A"	1210	1152	127.43
16	A"	1000	952	48.69
17	A"	384	366	0.03
18	A"	261	248	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.170	0.000
C2	-0.910	1.026	0.000
H3	1.267	0.732	0.000
F4	0.327	-0.644	1.106
F5	0.327	-0.644	-1.106
H6	-1.788	0.373	0.000
H7	-0.929	1.659	0.893
H8	-0.929	1.659	-0.893

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5041	1.0956	1.3732	1.3732	2.1247	2.1430	2.1430
C2	1.5041		2.1964	2.3543	2.3543	1.0947	1.0947	1.0947
H3	1.0956	2.1964		2.0006	2.0006	3.0762	2.5455	2.5455
F4	1.3732	2.3543	2.0006		2.2112	2.5944	2.6321	3.2982
F5	1.3732	2.3543	2.0006	2.2112		2.5944	3.2982	2.6321
H6	2.1247	1.0947	3.0762	2.5944	2.5944		1.7857	1.7857
H7	2.1430	1.0947	2.5455	2.6321	3.2982	1.7857		1.7864
H8	2.1430	1.0947	2.5455	3.2982	2.6321	1.7857	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.661	C1	C2	H7	110.104
C1	C2	H8	110.104	C2	C1	H3	114.401
C2	C1	F4	109.736	C2	C1	F5	109.736
H3	C1	F4	107.728	H3	C1	F5	107.728
F4	C1	F5	107.248	H6	C2	H7	109.295
H6	C2	H8	109.295	H7	C2	H8	109.362

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-)