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	hartrees
Energy at 0K	-61.367678
Energy at 298.15K
HF Energy	-60.956951
Nuclear repulsion energy	73.651498

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'	3140	3064	40.21	22.86	0.03	0.06
2	A'	3120	3045	5.01	109.99	0.47	0.64
3	A'	3006	2934	4.78	126.97	0.01	0.03
4	A'	1516	1480	6.29	10.93	0.75	0.86
5	A'	1469	1434	35.81	2.17	0.60	0.75
6	A'	1393	1360	28.97	3.11	0.73	0.84
7	A'	1178	1149	28.97	3.27	0.29	0.45
8	A'	1089	1063	76.21	5.09	0.66	0.80
9	A'	836	816	23.13	10.46	0.13	0.23
10	A'	514	502	13.98	1.67	0.37	0.54
11	A'	416	406	16.20	2.00	0.74	0.85
12	A"	3122	3047	14.17	51.24	0.75	0.86
13	A"	1509	1473	5.70	10.66	0.75	0.86
14	A"	1362	1329	28.54	7.33	0.75	0.86
15	A"	1124	1097	67.98	5.70	0.75	0.86
16	A"	887	866	115.93	8.58	0.75	0.86
17	A"	362	353	0.05	0.61	0.75	0.86
18	A"	230	225	0.11	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.333	0.203	0.000
C2	-0.932	1.059	0.000
H3	1.298	0.723	0.000
F4	0.333	-0.671	1.160
F5	0.333	-0.671	-1.160
H6	-1.811	0.400	0.000
H7	-0.947	1.693	0.899
H8	-0.947	1.693	-0.899

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5274	1.0958	1.4526	1.4526	2.1529	2.1598	2.1598
C2	1.5274		2.2551	2.4373	2.4373	1.0986	1.0996	1.0996
H3	1.0958	2.2551		2.0541	2.0541	3.1254	2.6054	2.6054
F4	1.4526	2.4373	2.0541		2.3195	2.6625	2.7011	3.3859
F5	1.4526	2.4373	2.0541	2.3195		2.6625	3.3859	2.7011
H6	2.1529	1.0986	3.1254	2.6625	2.6625		1.7958	1.7958
H7	2.1598	1.0996	2.6054	2.7011	3.3859	1.7958		1.7971
H8	2.1598	1.0996	2.6054	3.3859	2.7011	1.7958	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.040	C1	C2	H7	109.524
C1	C2	H8	109.524	C2	C1	H3	117.616
C2	C1	F4	109.719	C2	C1	F5	109.719
H3	C1	F4	106.586	H3	C1	F5	106.586
F4	C1	F5	105.962	H6	C2	H7	109.566
H6	C2	H8	109.566	H7	C2	H8	109.607

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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