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	hartrees
Energy at 0K	-278.040505
Energy at 298.15K
HF Energy	-277.069216
Nuclear repulsion energy	132.562361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3155	3155
2	A'	3100	3100
3	A'	3063	3063
4	A'	1491	1491
5	A'	1453	1453
6	A'	1399	1399
7	A'	1173	1173
8	A'	1161	1161
9	A'	879	879
10	A'	572	572
11	A'	469	469
12	A"	3151	3151
13	A"	1492	1492
14	A"	1403	1403
15	A"	1169	1169
16	A"	965	965
17	A"	380	380
18	A"	225	225

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.165	0.000
C2	-0.903	1.033	0.000
H3	1.260	0.718	0.000
F4	0.323	-0.646	1.096
F5	0.323	-0.646	-1.096
H6	-1.786	0.400	0.000
H7	-0.908	1.662	0.887
H8	-0.908	1.662	-0.887

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5021	1.0881	1.3635	1.3635	2.1227	2.1313	2.1313
C2	1.5021		2.1859	2.3504	2.3504	1.0876	1.0874	1.0874
H3	1.0881	2.1859		1.9849	1.9849	3.0635	2.5256	2.5256
F4	1.3635	2.3504	1.9849		2.1914	2.5971	2.6240	3.2825
F5	1.3635	2.3504	1.9849	2.1914		2.5971	3.2825	2.6240
H6	2.1227	1.0876	3.0635	2.5971	2.5971		1.7757	1.7757
H7	2.1313	1.0874	2.5256	2.6240	3.2825	1.7757		1.7750
H8	2.1313	1.0874	2.5256	3.2825	2.6240	1.7757	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.048	C1	C2	H7	109.738
C1	C2	H8	109.738	C2	C1	H3	114.158
C2	C1	F4	110.119	C2	C1	F5	110.119
H3	C1	F4	107.599	H3	C1	F5	107.599
F4	C1	F5	106.957	H6	C2	H7	109.453
H6	C2	H8	109.453	H7	C2	H8	109.397

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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