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	hartrees
Energy at 0K	-277.575173
Energy at 298.15K
HF Energy	-276.949518
Nuclear repulsion energy	132.062762

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'	3264	3057	10.97	40.09	0.74	0.85
2	A'	3177	2975	53.02	92.93	0.26	0.41
3	A'	3153	2953	2.76	86.55	0.02	0.04
4	A'	1547	1449	4.12	14.67	0.75	0.86
5	A'	1497	1402	74.86	2.85	0.66	0.79
6	A'	1441	1349	4.91	1.02	0.75	0.86
7	A'	1201	1124	25.67	1.88	0.10	0.18
8	A'	1187	1112	88.93	4.97	0.73	0.85
9	A'	904	846	9.20	6.47	0.22	0.35
10	A'	571	535	7.16	0.81	0.49	0.66
11	A'	468	438	12.69	0.98	0.66	0.80
12	A"	3260	3053	8.86	48.88	0.75	0.86
13	A"	1548	1450	0.04	10.79	0.75	0.86
14	A"	1451	1359	40.15	8.74	0.75	0.86
15	A"	1206	1129	125.38	3.13	0.75	0.86
16	A"	998	935	50.57	5.07	0.75	0.86
17	A"	385	361	0.04	0.22	0.75	0.86
18	A"	267	250	0.09	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.170	0.000
C2	-0.907	1.024	0.000
H3	1.260	0.731	0.000
F4	0.325	-0.643	1.107
F5	0.325	-0.643	-1.107
H6	-1.780	0.377	0.000
H7	-0.924	1.652	0.887
H8	-0.924	1.652	-0.887

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4995	1.0903	1.3734	1.3734	2.1154	2.1319	2.1319
C2	1.4995		2.1863	2.3503	2.3503	1.0870	1.0870	1.0870
H3	1.0903	2.1863		1.9971	1.9971	3.0603	2.5302	2.5302
F4	1.3734	2.3503	1.9971		2.2143	2.5880	2.6225	3.2871
F5	1.3734	2.3503	1.9971	2.2143		2.5880	3.2871	2.6225
H6	2.1154	1.0870	3.0603	2.5880	2.5880		1.7740	1.7740
H7	2.1319	1.0870	2.5302	2.6225	3.2871	1.7740		1.7739
H8	2.1319	1.0870	2.5302	3.2871	2.6225	1.7740	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.690	C1	C2	H7	109.998
C1	C2	H8	109.998	C2	C1	H3	114.242
C2	C1	F4	109.709	C2	C1	F5	109.709
H3	C1	F4	107.753	H3	C1	F5	107.753
F4	C1	F5	107.436	H6	C2	H7	109.381
H6	C2	H8	109.381	H7	C2	H8	109.374

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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