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	hartrees
Energy at 0K	-277.802012
Energy at 298.15K
HF Energy	-277.022765
Nuclear repulsion energy	132.472318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3214	3049	13.78	37.22	0.71	0.83
2	A'	3156	2994	44.79	104.25	0.29	0.45
3	A'	3109	2949	2.51	110.41	0.02	0.03
4	A'	1506	1429	6.82	9.52	0.75	0.85
5	A'	1473	1397	85.42	2.46	0.34	0.51
6	A'	1411	1338	1.11	0.70	0.60	0.75
7	A'	1186	1125	61.18	1.71	0.24	0.39
8	A'	1181	1120	68.87	3.96	0.63	0.77
9	A'	895	849	9.45	5.39	0.21	0.35
10	A'	578	548	6.88	0.97	0.54	0.70
11	A'	477	452	13.67	1.04	0.65	0.78
12	A"	3212	3047	8.60	49.91	0.75	0.86
13	A"	1508	1431	0.00	5.61	0.75	0.86
14	A"	1442	1368	32.03	9.51	0.75	0.86
15	A"	1191	1130	145.29	2.51	0.75	0.86
16	A"	980	929	54.09	3.67	0.75	0.86
17	A"	390	370	0.04	0.37	0.75	0.86
18	A"	258	245	0.09	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.164	0.000
C2	-0.903	1.028	0.000
H3	1.262	0.722	0.000
F4	0.324	-0.643	1.100
F5	0.324	-0.643	-1.100
H6	-1.786	0.387	0.000
H7	-0.914	1.658	0.890
H8	-0.914	1.658	-0.890

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5010	1.0917	1.3641	1.3641	2.1213	2.1346	2.1346
C2	1.5010		2.1871	2.3470	2.3470	1.0908	1.0907	1.0907
H3	1.0917	2.1871		1.9883	1.9883	3.0663	2.5305	2.5305
F4	1.3641	2.3470	1.9883		2.1995	2.5923	2.6211	3.2844
F5	1.3641	2.3470	1.9883	2.1995		2.5923	3.2844	2.6211
H6	2.1213	1.0908	3.0663	2.5923	2.5923		1.7802	1.7802
H7	2.1346	1.0907	2.5305	2.6211	3.2844	1.7802		1.7809
H8	2.1346	1.0907	2.5305	3.2844	2.6211	1.7802	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.835	C1	C2	H7	109.890
C1	C2	H8	109.890	C2	C1	H3	114.110
C2	C1	F4	109.913	C2	C1	F5	109.913
H3	C1	F4	107.606	H3	C1	F5	107.606
F4	C1	F5	107.451	H6	C2	H7	109.379
H6	C2	H8	109.379	H7	C2	H8	109.450

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

using model chemistry: MP2=FULL/6-311G**

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: MP2=FULL/6-311G**

States and conformations

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