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	hartrees
Energy at 0K	-277.771512
Energy at 298.15K
HF Energy	-277.016106
Nuclear repulsion energy	132.446011

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'	3212	3042	14.82	36.90	0.70	0.82
2	A'	3160	2992	44.00	103.55	0.30	0.47
3	A'	3108	2944	2.52	104.20	0.02	0.03
4	A'	1527	1447	7.12	10.18	0.75	0.86
5	A'	1483	1404	89.35	2.85	0.37	0.54
6	A'	1428	1353	2.46	0.72	0.63	0.77
7	A'	1196	1132	31.86	1.22	0.02	0.03
8	A'	1181	1119	101.02	4.35	0.75	0.86
9	A'	897	850	9.37	5.53	0.23	0.37
10	A'	579	548	6.85	0.97	0.55	0.71
11	A'	478	453	13.90	1.06	0.66	0.79
12	A"	3210	3040	8.66	50.85	0.75	0.86
13	A"	1528	1447	0.48	6.82	0.75	0.86
14	A"	1446	1370	33.27	9.31	0.75	0.86
15	A"	1194	1131	146.01	2.61	0.75	0.86
16	A"	983	931	58.77	4.02	0.75	0.86
17	A"	392	372	0.07	0.37	0.75	0.86
18	A"	260	246	0.09	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.165	0.000
C2	-0.902	1.028	0.000
H3	1.265	0.717	0.000
F4	0.324	-0.643	1.100
F5	0.324	-0.643	-1.100
H6	-1.785	0.388	0.000
H7	-0.916	1.659	0.889
H8	-0.916	1.659	-0.889

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4996	1.0917	1.3651	1.3651	2.1202	2.1356	2.1356
C2	1.4996		2.1899	2.3470	2.3470	1.0902	1.0901	1.0901
H3	1.0917	2.1899		1.9870	1.9870	3.0678	2.5372	2.5372
F4	1.3651	2.3470	1.9870		2.2004	2.5923	2.6235	3.2857
F5	1.3651	2.3470	1.9870	2.2004		2.5923	3.2857	2.6235
H6	2.1202	1.0902	3.0678	2.5923	2.5923		1.7775	1.7775
H7	2.1356	1.0901	2.5372	2.6235	3.2857	1.7775		1.7783
H8	2.1356	1.0901	2.5372	3.2857	2.6235	1.7775	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.878	C1	C2	H7	110.097
C1	C2	H8	110.097	C2	C1	H3	114.443
C2	C1	F4	109.934	C2	C1	F5	109.934
H3	C1	F4	107.430	H3	C1	F5	107.430
F4	C1	F5	107.400	H6	C2	H7	109.221
H6	C2	H8	109.221	H7	C2	H8	109.307

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-)