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	hartrees
Energy at 0K	-277.743223
Energy at 298.15K
HF Energy	-276.980720
Nuclear repulsion energy	130.878818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3150	3059
2	A'	3108	3018
3	A'	3049	2961
4	A'	1466	1424
5	A'	1428	1387
6	A'	1369	1329
7	A'	1151	1118
8	A'	1139	1106
9	A'	863	838
10	A'	550	534
11	A'	453	440
12	A"	3143	3052
13	A"	1467	1425
14	A"	1367	1327
15	A"	1129	1096
16	A"	937	910
17	A"	373	362
18	A"	231	224

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.173	0.000
C2	-0.910	1.045	0.000
H3	1.281	0.722	0.000
F4	0.325	-0.656	1.110
F5	0.325	-0.656	-1.110
H6	-1.807	0.404	0.000
H7	-0.910	1.683	0.899
H8	-0.910	1.683	-0.899

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5117	1.1025	1.3855	1.3855	2.1442	2.1475	2.1475
C2	1.5117		2.2149	2.3770	2.3770	1.1021	1.1023	1.1023
H3	1.1025	2.2149		2.0112	2.0112	3.1042	2.5558	2.5558
F4	1.3855	2.3770	2.0112		2.2203	2.6268	2.6529	3.3212
F5	1.3855	2.3770	2.0112	2.2203		2.6268	3.3212	2.6529
H6	2.1442	1.1021	3.1042	2.6268	2.6268		1.8021	1.8021
H7	2.1475	1.1023	2.5558	2.6529	3.3212	1.8021		1.7981
H8	2.1475	1.1023	2.5558	3.3212	2.6529	1.8021	1.7981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.231	C1	C2	H7	109.483
C1	C2	H8	109.483	C2	C1	H3	114.931
C2	C1	F4	110.182	C2	C1	F5	110.182
H3	C1	F4	107.329	H3	C1	F5	107.329
F4	C1	F5	106.499	H6	C2	H7	109.665
H6	C2	H8	109.665	H7	C2	H8	109.301

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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