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	hartrees
Energy at 0K	-273.351919
Energy at 298.15K
HF Energy	-273.214246
Nuclear repulsion energy	128.294220

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'	3569	3112	0.50	22.49	0.75	0.86
2	A'	3382	2949	0.02	33.80	0.03	0.06
3	A'	3303	2880	25.45	34.67	0.37	0.54
4	A'	1711	1492	1.11	15.59	0.75	0.86
5	A'	1594	1390	6.41	3.23	0.73	0.85
6	A'	1521	1326	35.96	5.22	0.71	0.83
7	A'	1249	1089	20.08	4.46	0.64	0.78
8	A'	1208	1053	22.27	5.11	0.57	0.73
9	A'	939	819	0.40	5.78	0.21	0.34
10	A'	557	486	4.48	0.79	0.55	0.71
11	A'	450	393	6.14	1.43	0.68	0.81
12	A"	3568	3111	0.28	24.31	0.75	0.86
13	A"	1716	1496	0.07	12.74	0.75	0.86
14	A"	1537	1340	46.74	4.98	0.75	0.86
15	A"	1319	1150	15.37	5.42	0.75	0.86
16	A"	1074	936	0.68	5.31	0.75	0.86
17	A"	365	318	0.04	0.42	0.75	0.86
18	A"	167	146	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.333	0.147	0.000
C2	-0.930	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	-1.854	0.492	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		1.5781	1.1296	1.3984	1.3984	2.2136	2.2091	2.2091
C2	1.5781		2.2262	2.4507	2.4507	1.1026	1.1025	1.1025
H3	1.1296	2.2262		2.0646	2.0646	3.1395	2.5531	2.5531
F4	1.3984	2.4507	2.0646		2.2603	2.7248	2.7238	3.3880
F5	1.3984	2.4507	2.0646	2.2603		2.7248	3.3880	2.7238
H6	2.2136	1.1026	3.1395	2.7248	2.7248		1.7964	1.7964
H7	2.2091	1.1025	2.5531	2.7238	3.3880	1.7964		1.7961
H8	2.2091	1.1025	2.5531	3.3880	2.7238	1.7964	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.062	C1	C2	H7	109.724
C1	C2	H8	109.724	C2	C1	H3	109.487
C2	C1	F4	110.696	C2	C1	F5	110.696
H3	C1	F4	109.042	H3	C1	F5	109.042
F4	C1	F5	107.834	H6	C2	H7	109.110
H6	C2	H8	109.110	H7	C2	H8	109.090

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

using model chemistry: MP2/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/STO-3G

States and conformations

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