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	hartrees
Energy at 0K	-277.660746
Energy at 298.15K
HF Energy	-276.959789
Nuclear repulsion energy	131.608890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3170	3021
2	A'	3089	2944
3	A'	3069	2925
4	A'	1475	1406
5	A'	1445	1377
6	A'	1380	1316
7	A'	1166	1112
8	A'	1156	1102
9	A'	876	835
10	A'	566	540
11	A'	464	442
12	A"	3168	3020
13	A"	1478	1409
14	A"	1402	1336
15	A"	1177	1121
16	A"	965	920
17	A"	375	357
18	A"	239	228

Atom	x (Å)	y (Å)	z (Å)
C1	0.327	0.164	0.000
C2	-0.911	1.034	0.000
H3	1.274	0.735	0.000
F4	0.327	-0.647	1.105
F5	0.327	-0.647	-1.105
H6	-1.804	0.386	0.000
H7	-0.922	1.672	0.901
H8	-0.922	1.672	-0.901

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5127	1.1065	1.3703	1.3703	2.1426	2.1554	2.1554
C2	1.5127		2.2052	2.3617	2.3617	1.1043	1.1038	1.1038
H3	1.1065	2.2052		2.0071	2.0071	3.0984	2.5521	2.5521
F4	1.3703	2.3617	2.0071		2.2091	2.6132	2.6420	3.3105
F5	1.3703	2.3617	2.0071	2.2091		2.6132	3.3105	2.6420
H6	2.1426	1.1043	3.0984	2.6132	2.6132		1.8012	1.8012
H7	2.1554	1.1038	2.5521	2.6420	3.3105	1.8012		1.8015
H8	2.1554	1.1038	2.5521	3.3105	2.6420	1.8012	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.919	C1	C2	H7	109.941
C1	C2	H8	109.941	C2	C1	H3	113.791
C2	C1	F4	109.911	C2	C1	F5	109.911
H3	C1	F4	107.789	H3	C1	F5	107.789
F4	C1	F5	107.427	H6	C2	H7	109.324
H6	C2	H8	109.324	H7	C2	H8	109.376

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

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