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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2H anti	¹A_g
1	2	no	C2 gauche	¹A

	hartrees
Energy at 0K	-277.579049
Energy at 298.15K
HF Energy	-276.927774
Nuclear repulsion energy	125.576627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3137	2925	0.00
2	A_g	1585	1478	0.00
3	A_g	1515	1413	0.00
4	A_g	1131	1055	0.00
5	A_g	1113	1038	0.00
6	A_g	469	437	0.00
7	A_u	3211	2994	68.80
8	A_u	1267	1182	3.88
9	A_u	835	779	0.46
10	A_u	139	130	12.97
11	B_g	3188	2973	0.00
12	B_g	1334	1244	0.00
13	B_g	1219	1137	0.00
14	B_u	3140	2929	59.82
15	B_u	1594	1486	2.16
16	B_u	1400	1306	22.53
17	B_u	1125	1049	175.24
18	B_u	281	262	19.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.427	0.625	0.000
C2	-0.427	-0.625	0.000
F3	-0.427	1.724	0.000
F4	0.427	-1.724	0.000
H5	1.056	0.661	0.889
H6	1.056	0.661	-0.889
H7	-1.056	-0.661	0.889
H8	-1.056	-0.661	-0.889

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5143	1.3923	2.3492	1.0900	1.0900	2.1558	2.1558
C2	1.5143		2.3492	1.3923	2.1558	2.1558	1.0900	1.0900
F3	1.3923	2.3492		3.5527	2.0303	2.0303	2.6225	2.6225
F4	2.3492	1.3923	3.5527		2.6225	2.6225	2.0303	2.0303
H5	1.0900	2.1558	2.0303	2.6225		1.7788	2.4927	3.0623
H6	1.0900	2.1558	2.0303	2.6225	1.7788		3.0623	2.4927
H7	2.1558	1.0900	2.6225	2.0303	2.4927	3.0623		1.7788
H8	2.1558	1.0900	2.6225	2.0303	3.0623	2.4927	1.7788

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

using model chemistry: CCSD/6-31G**

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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.771	C1	C2	H7	110.689
C1	C2	H8	110.689	C2	C1	F3	107.771
C2	C1	H5	110.689	C2	C1	H6	110.689
F3	C1	H5	109.144	F3	C1	H6	109.144
F4	C2	H7	109.144	F4	C2	H8	109.144
H5	C1	H6	109.364	H7	C2	H8	109.364

	hartrees
Energy at 0K	-277.579015
Energy at 298.15K
HF Energy	-276.927137
Nuclear repulsion energy	127.924740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	2965	19.34
2	A	3127	2917	39.25
3	A	1566	1460	0.32
4	A	1503	1401	21.15
5	A	1335	1245	1.20
6	A	1178	1099	1.70
7	A	1166	1087	71.29
8	A	913	851	26.22
9	A	329	307	0.28
10	A	149	139	3.43
11	B	3192	2976	52.66
12	B	3116	2906	16.03
13	B	1563	1458	4.24
14	B	1462	1364	16.85
15	B	1293	1206	4.56
16	B	1136	1059	33.44
17	B	938	875	36.24
18	B	508	474	17.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.264	0.705	0.523
C2	-0.264	-0.705	0.523
F3	-0.264	1.402	-0.558
F4	0.264	-1.402	-0.558
H5	-0.028	1.213	1.444
H6	1.351	0.701	0.437
H7	0.028	-1.213	1.444
H8	-1.351	-0.701	0.437

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5050	1.3897	2.3672	1.0924	1.0906	2.1412	2.1428
C2	1.5050		2.3672	1.3897	2.1412	2.1428	1.0924	1.0906
F3	1.3897	2.3672		2.8526	2.0245	2.0223	3.3063	2.5677
F4	2.3672	1.3897	2.8526		3.3063	2.5677	2.0245	2.0223
H5	1.0924	2.1412	2.0245	3.3063		1.7826	2.4276	2.5358
H6	1.0906	2.1428	2.0223	2.5677	1.7826		2.5358	3.0443
H7	2.1412	1.0924	3.3063	2.0245	2.4276	2.5358		1.7826
H8	2.1428	1.0906	2.5677	2.0223	2.5358	3.0443	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.660	C1	C2	H7	110.030
C1	C2	H8	110.268	C2	C1	F3	109.660
C2	C1	H5	110.030	C2	C1	H6	110.268
F3	C1	H5	108.711	F3	C1	H6	108.646
F4	C2	H7	108.711	F4	C2	H8	108.646
H5	C1	H6	109.493	H7	C2	H8	109.493

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

using model chemistry: CCSD/6-31G**

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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