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	hartrees
Energy at 0K	-277.938310
Energy at 298.15K
HF Energy	-277.059460
Nuclear repulsion energy	132.787216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3038	13.40
2	A'	3122	2988	27.28
3	A'	3082	2949	2.35
4	A'	1512	1447	5.74
5	A'	1472	1409	67.44
6	A'	1419	1358	1.27
7	A'	1195	1144	90.67
8	A'	1177	1126	36.20
9	A'	894	856	7.11
10	A'	580	555	5.68
11	A'	477	456	13.78
12	A"	3172	3035	8.06
13	A"	1514	1448	0.28
14	A"	1419	1358	23.45
15	A"	1195	1143	160.96
16	A"	987	945	50.70
17	A"	387	371	0.13
18	A"	235	225	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.164	0.000
C2	-0.902	1.033	0.000
H3	1.262	0.717	0.000
F4	0.323	-0.646	1.091
F5	0.323	-0.646	-1.091
H6	-1.789	0.403	0.000
H7	-0.905	1.663	0.888
H8	-0.905	1.663	-0.888

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5022	1.0897	1.3592	1.3592	2.1256	2.1315	2.1315
C2	1.5022		2.1866	2.3479	2.3479	1.0887	1.0884	1.0884
H3	1.0897	2.1866		1.9828	1.9828	3.0671	2.5252	2.5252
F4	1.3592	2.3479	1.9828		2.1828	2.5985	2.6233	3.2799
F5	1.3592	2.3479	1.9828	2.1828		2.5985	3.2799	2.6233
H6	2.1256	1.0887	3.0671	2.5985	2.5985		1.7774	1.7774
H7	2.1315	1.0884	2.5252	2.6233	3.2799	1.7774		1.7756
H8	2.1315	1.0884	2.5252	3.2799	2.6233	1.7774	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.212	C1	C2	H7	109.699
C1	C2	H8	109.699	C2	C1	H3	114.109
C2	C1	F4	110.181	C2	C1	F5	110.181
H3	C1	F4	107.618	H3	C1	F5	107.618
F4	C1	F5	106.834	H6	C2	H7	109.455
H6	C2	H8	109.455	H7	C2	H8	109.306

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

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

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