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	hartrees
Energy at 0K	-277.876721
Energy at 298.15K
HF Energy	-277.055458
Nuclear repulsion energy	132.128464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3028
2	A'	3113	2976
3	A'	3072	2937
4	A'	1502	1436
5	A'	1465	1400
6	A'	1415	1352
7	A'	1181	1130
8	A'	1162	1111
9	A'	882	843
10	A'	576	551
11	A'	473	452
12	A"	3163	3024
13	A"	1501	1435
14	A"	1429	1366
15	A"	1171	1119
16	A"	969	927
17	A"	384	367
18	A"	231	220

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.165	0.000
C2	-0.903	1.040	0.000
H3	1.266	0.716	0.000
F4	0.323	-0.650	1.099
F5	0.323	-0.650	-1.099
H6	-1.793	0.410	0.000
H7	-0.902	1.670	0.890
H8	-0.902	1.670	-0.890

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5055	1.0917	1.3684	1.3684	2.1295	2.1347	2.1347
C2	1.5055		2.1922	2.3590	2.3590	1.0904	1.0904	1.0904
H3	1.0917	2.1922		1.9904	1.9904	3.0734	2.5302	2.5302
F4	1.3684	2.3590	1.9904		2.1987	2.6089	2.6315	3.2922
F5	1.3684	2.3590	1.9904	2.1987		2.6089	3.2922	2.6315
H6	2.1295	1.0904	3.0734	2.6089	2.6089		1.7811	1.7811
H7	2.1347	1.0904	2.5302	2.6315	3.2922	1.7811		1.7801
H8	2.1347	1.0904	2.5302	3.2922	2.6315	1.7811	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.192	C1	C2	H7	109.597
C1	C2	H8	109.597	C2	C1	H3	114.198
C2	C1	F4	110.239	C2	C1	F5	110.239
H3	C1	F4	107.477	H3	C1	F5	107.477
F4	C1	F5	106.903	H6	C2	H7	109.510
H6	C2	H8	109.510	H7	C2	H8	109.423

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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