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	hartrees
Energy at 0K	-376.785754
Energy at 298.15K
HF Energy	-375.836918
Nuclear repulsion energy	188.600568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3147	3077
2	A	3119	3050
3	A	3073	3005
4	A	1476	1444
5	A	1443	1411
6	A	1373	1343
7	A	1318	1289
8	A	1243	1216
9	A	1154	1128
10	A	1123	1098
11	A	1081	1057
12	A	1054	1030
13	A	897	877
14	A	557	545
15	A	466	455
16	A	415	405
17	A	237	232
18	A	119	116

Atom	x (Å)	y (Å)	z (Å)
C1	-0.772	-0.606	-0.289
C2	0.465	0.019	0.337
F3	-1.898	0.108	0.152
F4	1.555	-0.761	-0.008
F5	0.676	1.276	-0.185
H6	-0.713	-0.538	-1.388
H7	-0.870	-1.655	0.039
H8	0.421	0.105	1.435

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5211	1.4036	2.3496	2.3771	1.1031	1.1032	2.2141
C2	1.5211		2.3721	1.3840	1.3770	2.1616	2.1621	1.1027
F3	1.4036	2.3721		3.5643	2.8468	2.0475	2.0435	2.6505
F4	2.3496	1.3840	3.5643		2.2254	2.6641	2.5854	2.0296
F5	2.3771	1.3770	2.8468	2.2254		2.5818	3.3213	2.0149
H6	1.1031	2.1616	2.0475	2.6641	2.5818		1.8190	3.1096
H7	1.1032	2.1621	2.0435	2.5854	3.3213	1.8190		2.5915
H8	2.2141	1.1027	2.6505	2.0296	2.0149	3.1096	2.5915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.866	C1	C2	F5	110.118
C1	C2	H8	114.153	C2	C1	F3	108.330
C2	C1	H6	109.894	C2	C1	H7	109.924
F3	C1	H6	108.951	F3	C1	H7	108.621
F4	C2	F5	107.419	F4	C2	H8	108.890
F5	C2	H8	108.187	H6	C1	H7	111.061

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

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

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

States and conformations

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