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	hartrees
Energy at 0K	-277.668836
Energy at 298.15K
HF Energy	-276.959997
Nuclear repulsion energy	131.726499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3177	3060
2	A'	3095	2981
3	A'	3074	2961
4	A'	1476	1422
5	A'	1447	1394
6	A'	1383	1332
7	A'	1169	1126
8	A'	1158	1116
9	A'	878	846
10	A'	568	547
11	A'	465	448
12	A"	3175	3058
13	A"	1481	1426
14	A"	1405	1354
15	A"	1180	1136
16	A"	967	931
17	A"	375	362
18	A"	237	229

Atom	x (Å)	y (Å)	z (Å)
C1	0.326	0.163	0.000
C2	-0.910	1.033	0.000
H3	1.273	0.734	0.000
F4	0.326	-0.647	1.104
F5	0.326	-0.647	-1.104
H6	-1.803	0.386	0.000
H7	-0.921	1.671	0.900
H8	-0.921	1.671	-0.900

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5113	1.1054	1.3691	1.3691	2.1406	2.1535	2.1535
C2	1.5113		2.2029	2.3597	2.3597	1.1032	1.1027	1.1027
H3	1.1054	2.2029		2.0053	2.0053	3.0954	2.5496	2.5496
F4	1.3691	2.3597	2.0053		2.2072	2.6110	2.6398	3.3076
F5	1.3691	2.3597	2.0053	2.2072		2.6110	3.3076	2.6398
H6	2.1406	1.1032	3.0954	2.6110	2.6110		1.7994	1.7994
H7	2.1535	1.1027	2.5496	2.6398	3.3076	1.7994		1.7995
H8	2.1535	1.1027	2.5496	3.3076	2.6398	1.7994	1.7995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.921	C1	C2	H7	109.955
C1	C2	H8	109.955	C2	C1	H3	113.769
C2	C1	F4	109.915	C2	C1	F5	109.915
H3	C1	F4	107.793	H3	C1	F5	107.793
F4	C1	F5	107.432	H6	C2	H7	109.316
H6	C2	H8	109.316	H7	C2	H8	109.362

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVDZ

States and conformations

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