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	hartrees
Energy at 0K	-277.646995
Energy at 298.15K
HF Energy	-276.960176
Nuclear repulsion energy	131.838274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3053	15.73
2	A'	3110	2984	52.53
3	A'	3083	2958	5.62
4	A'	1485	1424	12.10
5	A'	1459	1400	77.34
6	A'	1393	1337	2.86
7	A'	1180	1132	98.83
8	A'	1166	1119	23.43
9	A'	885	849	10.23
10	A'	573	549	6.62
11	A'	470	451	13.86
12	A"	3181	3052	11.98
13	A"	1488	1428	0.11
14	A"	1414	1357	38.30
15	A"	1191	1143	147.68
16	A"	976	936	43.40
17	A"	379	364	0.01
18	A"	242	232	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.326	0.163	0.000
C2	-0.908	1.034	0.000
H3	1.272	0.733	0.000
F4	0.326	-0.647	1.102
F5	0.326	-0.647	-1.102
H6	-1.803	0.389	0.000
H7	-0.919	1.672	0.900
H8	-0.919	1.672	-0.900

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5108	1.1047	1.3674	1.3674	2.1408	2.1528	2.1528
C2	1.5108		2.2013	2.3588	2.3588	1.1030	1.1025	1.1025
H3	1.1047	2.2013		2.0033	2.0033	3.0943	2.5477	2.5477
F4	1.3674	2.3588	2.0033		2.2032	2.6114	2.6395	3.3061
F5	1.3674	2.3588	2.0033	2.2032		2.6114	3.3061	2.6395
H6	2.1408	1.1030	3.0943	2.6114	2.6114		1.7990	1.7990
H7	2.1528	1.1025	2.5477	2.6395	3.3061	1.7990		1.7990
H8	2.1528	1.1025	2.5477	3.3061	2.6395	1.7990	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.978	C1	C2	H7	109.945
C1	C2	H8	109.945	C2	C1	H3	113.721
C2	C1	F4	109.980	C2	C1	F5	109.980
H3	C1	F4	107.793	H3	C1	F5	107.793
F4	C1	F5	107.346	H6	C2	H7	109.306
H6	C2	H8	109.306	H7	C2	H8	109.344

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

using model chemistry: QCISD/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/cc-pVDZ

States and conformations

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