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	hartrees
Energy at 0K	-277.586772
Energy at 298.15K
HF Energy	-276.941927
Nuclear repulsion energy	131.563115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3180	3037
2	A'	3106	2966
3	A'	3085	2945
4	A'	1532	1463
5	A'	1482	1415
6	A'	1428	1363
7	A'	1192	1138
8	A'	1171	1118
9	A'	893	852
10	A'	564	539
11	A'	461	440
12	A"	3176	3032
13	A"	1533	1464
14	A"	1437	1372
15	A"	1192	1138
16	A"	987	942
17	A"	381	364
18	A"	265	253

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.369	0.000
C2	-1.332	-0.331	0.000
H3	-0.061	1.465	0.000
F4	0.723	-0.010	1.110
F5	0.723	-0.010	-1.110
H6	-1.158	-1.412	0.000
H7	-1.902	-0.055	0.894
H8	-1.902	-0.055	-0.894

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5049	1.0974	1.3779	1.3779	2.1249	2.1443	2.1443
C2	1.5049		2.2001	2.3578	2.3578	1.0954	1.0955	1.0955
H3	1.0974	2.2001		2.0055	2.0055	3.0793	2.5496	2.5496
F4	1.3779	2.3578	2.0055		2.2199	2.5957	2.6346	3.3031
F5	1.3779	2.3578	2.0055	2.2199		2.5957	3.3031	2.6346
H6	2.1249	1.0954	3.0793	2.5957	2.5957		1.7873	1.7873
H7	2.1443	1.0955	2.5496	2.6346	3.3031	1.7873		1.7880
H8	2.1443	1.0955	2.5496	3.3031	2.6346	1.7873	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.577	C1	C2	H7	110.098
C1	C2	H8	110.098	C2	C1	H3	114.534
C2	C1	F4	109.670	C2	C1	F5	109.670
H3	C1	F4	107.693	H3	C1	F5	107.693
F4	C1	F5	107.318	H6	C2	H7	109.329
H6	C2	H8	109.329	H7	C2	H8	109.390

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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