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	hartrees
Energy at 0K	-278.163166
Energy at 298.15K
HF Energy	-277.925915
Nuclear repulsion energy	127.346977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3122	3122	11.41	85.80	0.74	0.85
2	A	3064	3064	35.77	240.73	0.02	0.03
3	A	1471	1471	1.74	1.27	0.74	0.85
4	A	1433	1433	10.37	1.43	0.21	0.35
5	A	1297	1297	2.62	8.91	0.65	0.79
6	A	1127	1127	22.75	1.83	0.56	0.72
7	A	1112	1112	65.82	3.48	0.28	0.43
8	A	878	878	29.29	6.89	0.13	0.24
9	A	325	325	0.40	0.41	0.25	0.40
10	A	151	151	3.82	0.12	0.75	0.86
11	B	3135	3135	26.01	12.96	0.75	0.86
12	B	3056	3056	8.69	29.96	0.75	0.86
13	B	1466	1466	7.56	6.86	0.75	0.86
14	B	1389	1389	8.05	0.04	0.75	0.86
15	B	1256	1256	6.58	2.29	0.75	0.86
16	B	1077	1077	54.05	3.65	0.75	0.86
17	B	901	901	47.50	2.58	0.75	0.86
18	B	497	497	16.16	0.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	0.702	0.512
C2	-0.270	-0.702	0.512
F3	-0.270	1.426	-0.547
F4	0.270	-1.426	-0.547
H5	-0.007	1.208	1.450
H6	1.364	0.697	0.399
H7	0.007	-1.208	1.450
H8	-1.364	-0.697	0.399

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5035	1.3922	2.3773	1.1014	1.1003	2.1442	2.1537
C2	1.5035		2.3773	1.3922	2.1442	2.1537	1.1014	1.1003
F3	1.3922	2.3773		2.9034	2.0265	2.0237	3.3179	2.5696
F4	2.3773	1.3922	2.9034		3.3179	2.5696	2.0265	2.0237
H5	1.1014	2.1442	2.0265	3.3179		1.8016	2.4167	2.5649
H6	1.1003	2.1537	2.0237	2.5696	1.8016		2.5649	3.0637
H7	2.1442	1.1014	3.3179	2.0265	2.4167	2.5649		1.8016
H8	2.1537	1.1003	2.5696	2.0237	2.5649	3.0637	1.8016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	110.308	C1	C2	H7	109.840
C1	C2	H8	110.658	C2	C1	F3	110.308
C2	C1	H5	109.840	C2	C1	H6	110.658
F3	C1	H5	108.155	F3	C1	H6	107.996
F4	C2	H7	108.155	F4	C2	H8	107.996
H5	C1	H6	109.829	H7	C2	H8	109.829

All results from a given calculation for C₂H₄F₂ (1,2-difluoroethane)

using model chemistry: B2PLYP=FULLultrafine/Sadlej_pVTZ

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

	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 C2H4F2 (1,2-difluoroethane)

using model chemistry: B2PLYP=FULLultrafine/Sadlej_pVTZ

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

All results from a given calculation for C₂H₄F₂ (1,2-difluoroethane)