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	hartrees
Energy at 0K	-376.559925
Energy at 298.15K
HF Energy	-375.784135
Nuclear repulsion energy	190.865941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3008	29.34
2	A	3175	2980	24.45
3	A	3138	2946	14.15
4	A	1569	1473	3.48
5	A	1525	1431	17.29
6	A	1474	1384	31.62
7	A	1393	1308	26.85
8	A	1299	1220	14.22
9	A	1221	1146	103.78
10	A	1191	1118	65.68
11	A	1179	1106	112.47
12	A	1148	1077	41.06
13	A	953	894	30.81
14	A	586	550	4.92
15	A	493	463	20.55
16	A	435	408	6.51
17	A	246	231	9.08
18	A	126	118	8.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	-0.609	-0.278
C2	0.466	0.021	0.333
F3	-1.870	0.102	0.147
F4	1.545	-0.742	-0.011
F5	0.647	1.266	-0.184
H6	-0.686	-0.556	-1.368
H7	-0.850	-1.649	0.044
H8	0.414	0.100	1.422

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5083	1.3842	2.3251	2.3465	1.0932	1.0931	2.1847
C2	1.5083		2.3447	1.3659	1.3604	2.1334	2.1459	1.0925
F3	1.3842	2.3447		3.5213	2.7929	2.0321	2.0293	2.6157
F4	2.3251	1.3659	3.5213		2.2073	2.6177	2.5613	2.0100
F5	2.3465	1.3604	2.7929	2.2073		2.5490	3.2853	1.9977
H6	1.0932	2.1334	2.0321	2.6177	2.5490		1.7930	3.0692
H7	1.0931	2.1459	2.0293	2.5613	3.2853	1.7930		2.5608
H8	2.1847	1.0925	2.6157	2.0100	1.9977	3.0692	2.5608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.882	C1	C2	F5	109.652
C1	C2	H8	113.317	C2	C1	F3	108.229
C2	C1	H6	109.143	C2	C1	H7	110.134
F3	C1	H6	109.660	F3	C1	H7	109.444
F4	C2	F5	108.115	F4	C2	H8	109.189
F5	C2	H8	108.564	H6	C1	H7	110.199

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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