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	hartrees
Energy at 0K	-273.352855
Energy at 298.15K
HF Energy	-273.214270
Nuclear repulsion energy	128.305046

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'	3570	3173	0.49	22.48	0.75	0.86
2	A'	3383	3007	0.02	33.79	0.03	0.06
3	A'	3304	2937	25.45	34.65	0.37	0.54
4	A'	1711	1521	1.11	15.59	0.75	0.86
5	A'	1594	1417	6.46	3.23	0.73	0.85
6	A'	1521	1352	35.90	5.21	0.71	0.83
7	A'	1249	1111	20.05	4.47	0.64	0.78
8	A'	1209	1074	22.26	5.10	0.57	0.73
9	A'	939	835	0.39	5.77	0.21	0.34
10	A'	557	495	4.48	0.79	0.55	0.71
11	A'	450	400	6.14	1.43	0.68	0.81
12	A"	3569	3172	0.27	24.30	0.75	0.86
13	A"	1716	1525	0.07	12.74	0.75	0.86
14	A"	1537	1366	46.75	4.98	0.75	0.86
15	A"	1319	1173	15.36	5.42	0.75	0.86
16	A"	1074	954	0.68	5.31	0.75	0.86
17	A"	365	325	0.04	0.42	0.75	0.86
18	A"	167	149	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.333	0.147	0.000
C2	-0.929	1.094	0.000
H3	1.273	0.773	0.000
F4	0.333	-0.677	1.130
F5	0.333	-0.677	-1.130
H6	-1.853	0.493	0.000
H7	-0.915	1.733	0.898
H8	-0.915	1.733	-0.898

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5778	1.1296	1.3984	1.3984	2.2133	2.2088	2.2088
C2	1.5778		2.2259	2.4504	2.4504	1.1025	1.1024	1.1024
H3	1.1296	2.2259		2.0644	2.0644	3.1391	2.5528	2.5528
F4	1.3984	2.4504	2.0644		2.2602	2.7245	2.7235	3.3877
F5	1.3984	2.4504	2.0644	2.2602		2.7245	3.3877	2.7235
H6	2.2133	1.1025	3.1391	2.7245	2.7245		1.7962	1.7962
H7	2.2088	1.1024	2.5528	2.7235	3.3877	1.7962		1.7959
H8	2.2088	1.1024	2.5528	3.3877	2.7235	1.7962	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.066	C1	C2	H7	109.729
C1	C2	H8	109.729	C2	C1	H3	109.488
C2	C1	F4	110.698	C2	C1	F5	110.698
H3	C1	F4	109.039	H3	C1	F5	109.039
F4	C1	F5	107.833	H6	C2	H7	109.105
H6	C2	H8	109.105	H7	C2	H8	109.086

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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