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	hartrees
Energy at 0K	-376.758746
Energy at 298.15K
HF Energy	-375.838049
Nuclear repulsion energy	189.238502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3051	18.20
2	A	3142	3027	14.16
3	A	3096	2982	15.57
4	A	1492	1437	8.01
5	A	1466	1412	10.41
6	A	1394	1343	18.10
7	A	1337	1288	14.23
8	A	1260	1214	13.09
9	A	1173	1131	67.29
10	A	1140	1098	27.44
11	A	1110	1070	228.82
12	A	1081	1041	44.31
13	A	912	878	36.85
14	A	568	547	3.95
15	A	474	456	20.22
16	A	422	406	6.01
17	A	242	233	8.83
18	A	120	115	8.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.773	-0.602	-0.287
C2	0.466	0.019	0.334
F3	-1.892	0.110	0.151
F4	1.548	-0.760	-0.008
F5	0.678	1.270	-0.184
H6	-0.714	-0.537	-1.385
H7	-0.870	-1.649	0.040
H8	0.420	0.103	1.431

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5187	1.3969	2.3435	2.3712	1.1013	1.1014	2.2073
C2	1.5187		2.3665	1.3772	1.3711	2.1581	2.1573	1.1007
F3	1.3969	2.3665		3.5523	2.8398	2.0411	2.0376	2.6423
F4	2.3435	1.3772	3.5523		2.2157	2.6578	2.5774	2.0226
F5	2.3712	1.3711	2.8398	2.2157		2.5782	3.3123	2.0093
H6	1.1013	2.1581	2.0411	2.6578	2.5782		1.8143	3.1024
H7	1.1014	2.1573	2.0376	2.5774	3.3123	1.8143		2.5826
H8	2.2073	1.1007	2.6423	2.0226	2.0093	3.1024	2.5826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.948	C1	C2	F5	110.175
C1	C2	H8	113.891	C2	C1	F3	108.445
C2	C1	H6	109.890	C2	C1	H7	109.821
F3	C1	H6	109.001	F3	C1	H7	108.719
F4	C2	F5	107.456	F4	C2	H8	108.914
F5	C2	H8	108.264	H6	C1	H7	110.913

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

using model chemistry: CCSD/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: CCSD/aug-cc-pVDZ

States and conformations

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