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	hartrees
Energy at 0K	-277.733865
Energy at 298.15K
HF Energy	-276.980380
Nuclear repulsion energy	130.708438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3143	3074
2	A'	3102	3033
3	A'	3043	2975
4	A'	1464	1431
5	A'	1425	1393
6	A'	1366	1335
7	A'	1149	1123
8	A'	1134	1109
9	A'	860	841
10	A'	548	536
11	A'	451	441
12	A"	3136	3067
13	A"	1465	1432
14	A"	1362	1332
15	A"	1124	1099
16	A"	933	913
17	A"	372	363
18	A"	230	225

Atom	x (Å)	y (Å)	z (Å)
C1	0.326	0.174	0.000
C2	-0.911	1.046	0.000
H3	1.283	0.723	0.000
F4	0.326	-0.656	1.112
F5	0.326	-0.656	-1.112
H6	-1.809	0.405	0.000
H7	-0.911	1.684	0.900
H8	-0.911	1.684	-0.900

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5132	1.1034	1.3877	1.3877	2.1465	2.1494	2.1494
C2	1.5132		2.2177	2.3799	2.3799	1.1032	1.1033	1.1033
H3	1.1034	2.2177		2.0135	2.0135	3.1078	2.5587	2.5587
F4	1.3877	2.3799	2.0135		2.2237	2.6299	2.6557	3.3249
F5	1.3877	2.3799	2.0135	2.2237		2.6299	3.3249	2.6557
H6	2.1465	1.1032	3.1078	2.6299	2.6299		1.8039	1.8039
H7	2.1494	1.1033	2.5587	2.6557	3.3249	1.8039		1.7999
H8	2.1494	1.1033	2.5587	3.3249	2.6557	1.8039	1.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.248	C1	C2	H7	109.465
C1	C2	H8	109.465	C2	C1	H3	114.987
C2	C1	F4	110.175	C2	C1	F5	110.175
H3	C1	F4	107.308	H3	C1	F5	107.308
F4	C1	F5	106.498	H6	C2	H7	109.671
H6	C2	H8	109.671	H7	C2	H8	109.308

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

using model chemistry: QCISD(T)/aug-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(T)/aug-cc-pVDZ

States and conformations

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