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	hartrees
Energy at 0K	-277.744262
Energy at 298.15K
HF Energy	-276.980624
Nuclear repulsion energy	130.829725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3149	3055
2	A'	3107	3014
3	A'	3048	2957
4	A'	1466	1422
5	A'	1427	1384
6	A'	1368	1327
7	A'	1150	1116
8	A'	1136	1102
9	A'	861	836
10	A'	549	532
11	A'	452	439
12	A"	3142	3048
13	A"	1467	1423
14	A"	1365	1324
15	A"	1127	1093
16	A"	935	907
17	A"	372	361
18	A"	231	224

Atom	x (Å)	y (Å)	z (Å)
C1	0.325	0.174	0.000
C2	-0.910	1.045	0.000
H3	1.282	0.722	0.000
F4	0.325	-0.656	1.111
F5	0.325	-0.656	-1.111
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		1.5118	1.1026	1.3864	1.3864	2.1443	2.1476	2.1476
C2	1.5118		2.2155	2.3777	2.3777	1.1022	1.1024	1.1024
H3	1.1026	2.2155		2.0119	2.0119	3.1048	2.5564	2.5564
F4	1.3864	2.3777	2.0119		2.2216	2.6272	2.6534	3.3220
F5	1.3864	2.3777	2.0119	2.2216		2.6272	3.3220	2.6534
H6	2.1443	1.1022	3.1048	2.6272	2.6272		1.8022	1.8022
H7	2.1476	1.1024	2.5564	2.6534	3.3220	1.8022		1.7982
H8	2.1476	1.1024	2.5564	3.3220	2.6534	1.8022	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.232	C1	C2	H7	109.477
C1	C2	H8	109.477	C2	C1	H3	114.971
C2	C1	F4	110.175	C2	C1	F5	110.175
H3	C1	F4	107.317	H3	C1	F5	107.317
F4	C1	F5	106.494	H6	C2	H7	109.670
H6	C2	H8	109.670	H7	C2	H8	109.301

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

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

States and conformations

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