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	hartrees
Energy at 0K	-277.733896
Energy at 298.15K
HF Energy	-276.962933
Nuclear repulsion energy	132.926830

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'	3234	3054	6.24	37.87	0.73	0.85
2	A'	3130	2957	44.52	101.82	0.20	0.34
3	A'	3126	2952	3.21	68.80	0.02	0.05
4	A'	1513	1429	5.41	12.18	0.75	0.86
5	A'	1465	1384	75.10	1.83	0.61	0.76
6	A'	1411	1333	0.58	0.66	0.75	0.86
7	A'	1196	1130	82.40	2.97	0.41	0.58
8	A'	1173	1107	31.10	3.14	0.45	0.62
9	A'	894	844	4.96	6.19	0.19	0.32
10	A'	577	545	4.70	0.72	0.44	0.61
11	A'	470	444	11.43	0.77	0.62	0.77
12	A"	3232	3053	4.85	45.26	0.75	0.86
13	A"	1518	1434	0.02	7.42	0.75	0.86
14	A"	1441	1361	28.60	8.18	0.75	0.86
15	A"	1202	1136	141.40	1.90	0.75	0.86
16	A"	986	932	32.21	3.55	0.75	0.86
17	A"	379	358	0.10	0.21	0.75	0.86
18	A"	249	235	0.07	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.161	0.000
C2	-0.906	1.024	0.000
H3	1.259	0.730	0.000
F4	0.325	-0.640	1.093
F5	0.325	-0.640	-1.093
H6	-1.786	0.380	0.000
H7	-0.920	1.653	0.888
H8	-0.920	1.653	-0.888

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5035	1.0936	1.3555	1.3555	2.1224	2.1370	2.1370
C2	1.5035		2.1851	2.3410	2.3410	1.0895	1.0891	1.0891
H3	1.0936	2.1851		1.9865	1.9865	3.0649	2.5277	2.5277
F4	1.3555	2.3410	1.9865		2.1862	2.5872	2.6181	3.2770
F5	1.3555	2.3410	1.9865	2.1862		2.5872	3.2770	2.6181
H6	2.1224	1.0895	3.0649	2.5872	2.5872		1.7774	1.7774
H7	2.1370	1.0891	2.5277	2.6181	3.2770	1.7774		1.7767
H8	2.1370	1.0891	2.5277	3.2770	2.6181	1.7774	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.827	C1	C2	H7	110.000
C1	C2	H8	110.000	C2	C1	H3	113.633
C2	C1	F4	109.826	C2	C1	F5	109.826
H3	C1	F4	107.928	H3	C1	F5	107.928
F4	C1	F5	107.497	H6	C2	H7	109.345
H6	C2	H8	109.345	H7	C2	H8	109.306

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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