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	hartrees
Energy at 0K	-277.682926
Energy at 298.15K
HF Energy	-276.980942
Nuclear repulsion energy	131.031344

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'	3201	3070	10.92	30.11	0.68	0.81
2	A'	3153	3023	26.44	105.16	0.24	0.38
3	A'	3090	2963	2.36	150.92	0.01	0.01
4	A'	1476	1415	5.85	4.33	0.75	0.86
5	A'	1435	1376	68.78	0.89	0.27	0.42
6	A'	1374	1318	0.92	0.52	0.59	0.74
7	A'	1162	1115	35.07	3.06	0.30	0.46
8	A'	1140	1093	81.49	3.52	0.32	0.49
9	A'	870	834	12.60	7.07	0.10	0.18
10	A'	553	531	6.40	0.96	0.27	0.42
11	A'	455	437	12.80	0.86	0.67	0.80
12	A"	3195	3064	6.68	45.41	0.75	0.86
13	A"	1476	1416	0.76	3.15	0.75	0.86
14	A"	1373	1316	15.71	3.56	0.75	0.86
15	A"	1128	1081	140.79	2.25	0.75	0.86
16	A"	936	898	81.46	2.84	0.75	0.86
17	A"	378	362	0.19	0.41	0.75	0.86
18	A"	240	230	0.06	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.324	0.175	0.000
C2	-0.907	1.042	0.000
H3	1.279	0.720	0.000
F4	0.324	-0.654	1.111
F5	0.324	-0.654	-1.111
H6	-1.800	0.402	0.000
H7	-0.908	1.677	0.897
H8	-0.908	1.677	-0.897

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5055	1.0997	1.3863	1.3863	2.1360	2.1398	2.1398
C2	1.5055		2.2097	2.3719	2.3719	1.0988	1.0991	1.0991
H3	1.0997	2.2097		2.0086	2.0086	3.0956	2.5502	2.5502
F4	1.3863	2.3719	2.0086		2.2222	2.6193	2.6456	3.3143
F5	1.3863	2.3719	2.0086	2.2222		2.6193	3.3143	2.6456
H6	2.1360	1.0988	3.0956	2.6193	2.6193		1.7966	1.7966
H7	2.1398	1.0991	2.5502	2.6456	3.3143	1.7966		1.7935
H8	2.1398	1.0991	2.5502	3.3143	2.6456	1.7966	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.210	C1	C2	H7	109.484
C1	C2	H8	109.484	C2	C1	H3	115.145
C2	C1	F4	110.146	C2	C1	F5	110.146
H3	C1	F4	107.232	H3	C1	F5	107.232
F4	C1	F5	106.541	H6	C2	H7	109.651
H6	C2	H8	109.651	H7	C2	H8	109.347

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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