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	hartrees
Energy at 0K	-376.768354
Energy at 298.15K
HF Energy	-375.840197
Nuclear repulsion energy	189.170941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3162	3162	19.16
2	A	3138	3138	13.96
3	A	3090	3090	15.93
4	A	1490	1490	7.54
5	A	1461	1461	10.69
6	A	1391	1391	16.63
7	A	1337	1337	13.13
8	A	1257	1257	12.69
9	A	1170	1170	65.11
10	A	1138	1138	27.90
11	A	1104	1104	231.78
12	A	1073	1073	46.58
13	A	909	909	37.71
14	A	567	567	3.84
15	A	473	473	19.51
16	A	422	422	5.73
17	A	241	241	8.64
18	A	118	118	8.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.773	-0.603	-0.287
C2	0.466	0.019	0.334
F3	-1.893	0.109	0.152
F4	1.549	-0.760	-0.008
F5	0.677	1.272	-0.184
H6	-0.716	-0.539	-1.385
H7	-0.870	-1.649	0.042
H8	0.421	0.104	1.430

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5190	1.3977	2.3440	2.3721	1.1009	1.1010	2.2070
C2	1.5190		2.3675	1.3777	1.3714	2.1590	2.1571	1.1003
F3	1.3977	2.3675		3.5536	2.8406	2.0411	2.0374	2.6429
F4	2.3440	1.3777	3.5536		2.2181	2.6595	2.5772	2.0218
F5	2.3721	1.3714	2.8406	2.2181		2.5808	3.3127	2.0088
H6	1.1009	2.1590	2.0411	2.6595	2.5808		1.8138	3.1025
H7	1.1010	2.1571	2.0374	2.5772	3.3127	1.8138		2.5813
H8	2.2070	1.1003	2.6429	2.0218	2.0088	3.1025	2.5813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.935	C1	C2	F5	110.200
C1	C2	H8	113.872	C2	C1	F3	108.455
C2	C1	H6	109.964	C2	C1	H7	109.807
F3	C1	H6	108.976	F3	C1	H7	108.664
F4	C2	F5	107.578	F4	C2	H8	108.842
F5	C2	H8	108.228	H6	C1	H7	110.921

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

using model chemistry: QCISD/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: QCISD/daug-cc-pVDZ

States and conformations

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