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	hartrees
Energy at 0K	-376.662492
Energy at 298.15K
HF Energy	-375.807397
Nuclear repulsion energy	190.904656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3004	31.36
2	A	3158	2969	31.24
3	A	3126	2939	17.72
4	A	1510	1420	1.83
5	A	1500	1411	24.03
6	A	1442	1356	33.08
7	A	1366	1284	32.24
8	A	1285	1209	18.66
9	A	1215	1142	117.08
10	A	1183	1112	132.43
11	A	1163	1093	75.89
12	A	1142	1073	23.82
13	A	934	879	31.58
14	A	594	558	5.13
15	A	481	452	19.22
16	A	438	412	6.07
17	A	244	229	8.47
18	A	120	113	8.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.776	-0.589	-0.283
C2	0.470	0.021	0.327
F3	-1.877	0.110	0.152
F4	1.531	-0.759	-0.007
F5	0.678	1.258	-0.182
H6	-0.704	-0.530	-1.381
H7	-0.857	-1.642	0.030
H8	0.407	0.100	1.423

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5151	1.3752	2.3292	2.3534	1.1014	1.1009	2.1878
C2	1.5151		2.3550	1.3584	1.3540	2.1436	2.1475	1.1011
F3	1.3752	2.3550		3.5205	2.8216	2.0332	2.0307	2.6148
F4	2.3292	1.3584	3.5205		2.1964	2.6331	2.5460	2.0109
F5	2.3534	1.3540	2.8216	2.1964		2.5579	3.2880	1.9983
H6	1.1014	2.1436	2.0332	2.6331	2.5579		1.8028	3.0810
H7	1.1009	2.1475	2.0307	2.5460	3.2880	1.8028		2.5634
H8	2.1878	1.1011	2.6148	2.0109	1.9983	3.0810	2.5634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.185	C1	C2	F5	110.096
C1	C2	H8	112.539	C2	C1	F3	109.038
C2	C1	H6	108.997	C2	C1	H7	109.333
F3	C1	H6	109.865	F3	C1	H7	109.695
F4	C2	F5	108.150	F4	C2	H8	109.244
F5	C2	H8	108.532	H6	C1	H7	109.891

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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