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	hartrees
Energy at 0K	-376.790505
Energy at 298.15K
HF Energy	-375.839492
Nuclear repulsion energy	188.780795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3142	3142
2	A	3115	3115
3	A	3070	3070
4	A	1478	1478
5	A	1445	1445
6	A	1379	1379
7	A	1325	1325
8	A	1245	1245
9	A	1157	1157
10	A	1126	1126
11	A	1089	1089
12	A	1059	1059
13	A	898	898
14	A	561	561
15	A	467	467
16	A	417	417
17	A	238	238
18	A	117	117

Atom	x (Å)	y (Å)	z (Å)
C1	-0.773	-0.605	-0.288
C2	0.467	0.020	0.334
F3	-1.895	0.108	0.152
F4	1.553	-0.762	-0.008
F5	0.676	1.276	-0.185
H6	-0.716	-0.542	-1.387
H7	-0.868	-1.653	0.041
H8	0.422	0.105	1.432

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5209	1.4012	2.3476	2.3763	1.1027	1.1028	2.2112
C2	1.5209		2.3706	1.3813	1.3749	2.1627	2.1602	1.1022
F3	1.4012	2.3706		3.5600	2.8441	2.0457	2.0420	2.6471
F4	2.3476	1.3813	3.5600		2.2254	2.6645	2.5805	2.0257
F5	2.3763	1.3749	2.8441	2.2254		2.5862	3.3188	2.0124
H6	1.1027	2.1627	2.0457	2.6645	2.5862		1.8163	3.1085
H7	1.1028	2.1602	2.0420	2.5805	3.3188	1.8163		2.5865
H8	2.2112	1.1022	2.6471	2.0257	2.0124	3.1085	2.5865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.884	C1	C2	F5	110.188
C1	C2	H8	113.962	C2	C1	F3	108.371
C2	C1	H6	110.024	C2	C1	H7	109.821
F3	C1	H6	108.993	F3	C1	H7	108.692
F4	C2	F5	107.689	F4	C2	H8	108.785
F5	C2	H8	108.151	H6	C1	H7	110.886

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)

using model chemistry: CCSD(T)/daug-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 CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: CCSD(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)