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	hartrees
Energy at 0K	-277.643920
Energy at 298.15K
HF Energy	-276.961822
Nuclear repulsion energy	131.392173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3210	3081
2	A'	3163	3035
3	A'	3107	2982
4	A'	1523	1461
5	A'	1475	1415
6	A'	1418	1361
7	A'	1182	1134
8	A'	1159	1113
9	A'	884	848
10	A'	559	537
11	A'	460	441
12	A"	3203	3073
13	A"	1523	1461
14	A"	1403	1346
15	A"	1163	1116
16	A"	966	927
17	A"	381	366
18	A"	243	233

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.175	0.000
C2	-0.908	1.037	0.000
H3	1.271	0.718	0.000
F4	0.325	-0.651	1.110
F5	0.325	-0.651	-1.110
H6	-1.789	0.395	0.000
H7	-0.914	1.666	0.890
H8	-0.914	1.666	-0.890

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5040	1.0907	1.3834	1.3834	2.1257	2.1334	2.1334
C2	1.5040		2.2019	2.3662	2.3662	1.0902	1.0905	1.0905
H3	1.0907	2.2019		1.9999	1.9999	3.0772	2.5426	2.5426
F4	1.3834	2.3662	1.9999		2.2200	2.6069	2.6366	3.3021
F5	1.3834	2.3662	1.9999	2.2200		2.6069	3.3021	2.6366
H6	2.1257	1.0902	3.0772	2.6069	2.6069		1.7819	1.7819
H7	2.1334	1.0905	2.5426	2.6366	3.3021	1.7819		1.7803
H8	2.1334	1.0905	2.5426	3.3021	2.6366	1.7819	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.007	C1	C2	H7	109.593
C1	C2	H8	109.593	C2	C1	H3	115.200
C2	C1	F4	109.995	C2	C1	F5	109.995
H3	C1	F4	107.278	H3	C1	F5	107.278
F4	C1	F5	106.715	H6	C2	H7	109.602
H6	C2	H8	109.602	H7	C2	H8	109.429

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

using model chemistry: CCSD(T)/6-31+G**

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: CCSD(T)/6-31+G**

States and conformations

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