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	hartrees
Energy at 0K	-277.585059
Energy at 298.15K
HF Energy	-276.942137
Nuclear repulsion energy	131.670258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3170	3041
2	A'	3102	2976
3	A'	3077	2952
4	A'	1528	1466
5	A'	1483	1422
6	A'	1428	1370
7	A'	1192	1143
8	A'	1176	1128
9	A'	894	858
10	A'	566	542
11	A'	463	444
12	A"	3166	3037
13	A"	1530	1468
14	A"	1439	1380
15	A"	1199	1150
16	A"	991	951
17	A"	380	364
18	A"	257	247

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.170	0.000
C2	-0.911	1.027	0.000
H3	1.269	0.734	0.000
F4	0.327	-0.645	1.108
F5	0.327	-0.645	-1.108
H6	-1.790	0.372	0.000
H7	-0.930	1.660	0.894
H8	-0.930	1.660	-0.894

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5053	1.0973	1.3757	1.3757	2.1261	2.1445	2.1445
C2	1.5053		2.1992	2.3569	2.3569	1.0959	1.0959	1.0959
H3	1.0973	2.1992		2.0038	2.0038	3.0796	2.5480	2.5480
F4	1.3757	2.3569	2.0038		2.2161	2.5964	2.6340	3.3018
F5	1.3757	2.3569	2.0038	2.2161		2.5964	3.3018	2.6340
H6	2.1261	1.0959	3.0796	2.5964	2.5964		1.7881	1.7881
H7	2.1445	1.0959	2.5480	2.6340	3.3018	1.7881		1.7887
H8	2.1445	1.0959	2.5480	3.3018	2.6340	1.7881	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.619	C1	C2	H7	110.062
C1	C2	H8	110.062	C2	C1	H3	114.431
C2	C1	F4	109.706	C2	C1	F5	109.706
H3	C1	F4	107.714	H3	C1	F5	107.714
F4	C1	F5	107.309	H6	C2	H7	109.341
H6	C2	H8	109.341	H7	C2	H8	109.395

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

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

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