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	hartrees
Energy at 0K
Energy at 298.15K	-0.178293
HF Energy	-0.178293
Nuclear repulsion energy	105.881532

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'	3191	3108	3.87	89.79	0.03	0.06
2	A'	3101	3020	7.24	65.21	0.75	0.86
3	A'	2854	2780	0.10	97.17	0.35	0.52
4	A'	1476	1438	87.35	5.44	0.41	0.58
5	A'	1392	1356	4.28	32.81	0.75	0.86
6	A'	1380	1344	1.60	7.55	0.71	0.83
7	A'	1117	1088	15.51	14.77	0.66	0.79
8	A'	1095	1067	12.95	14.15	0.62	0.76
9	A'	959	934	0.40	6.31	0.40	0.57
10	A'	582	567	13.46	0.55	0.50	0.67
11	A'	491	478	13.40	1.57	0.69	0.82
12	A"	3105	3024	6.24	65.97	0.75	0.86
13	A"	1535	1495	131.61	2.83	0.75	0.86
14	A"	1399	1362	5.80	34.38	0.75	0.86
15	A"	1039	1012	0.95	15.24	0.75	0.86
16	A"	986	960	0.00	9.03	0.75	0.86
17	A"	410	400	0.12	0.89	0.75	0.86
18	A"	156	152	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.321	0.163	0.000
C2	-0.896	1.098	0.000
H3	1.282	0.718	0.000
F4	0.321	-0.683	1.062
F5	0.321	-0.683	-1.062
H6	-1.841	0.541	0.000
H7	-0.883	1.740	0.888
H8	-0.883	1.740	-0.888

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5348	1.1100	1.3575	1.3575	2.1949	2.1739	2.1739
C2	1.5348		2.2108	2.4044	2.4044	1.0971	1.0962	1.0962
H3	1.1100	2.2108		2.0037	2.0037	3.1281	2.5533	2.5533
F4	1.3575	2.4044	2.0037		2.1230	2.7020	2.7115	3.3353
F5	1.3575	2.4044	2.0037	2.1230		2.7020	3.3353	2.7115
H6	2.1949	1.0971	3.1281	2.7020	2.7020		1.7735	1.7735
H7	2.1739	1.0962	2.5533	2.7115	3.3353	1.7735		1.7767
H8	2.1739	1.0962	2.5533	3.3353	2.7115	1.7735	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.948	C1	C2	H7	110.327
C1	C2	H8	110.327	C2	C1	H3	112.427
C2	C1	F4	112.326	C2	C1	F5	112.326
H3	C1	F4	108.173	H3	C1	F5	108.173
F4	C1	F5	102.883	H6	C2	H7	107.922
H6	C2	H8	107.922	H7	C2	H8	108.274

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

using model chemistry: PM3

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: PM3

States and conformations

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