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

	hartrees
Energy at 0K	-277.698499
Energy at 298.15K
HF Energy	-276.995366
Nuclear repulsion energy	125.698769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3083	2940	0.00
2	A_g	1556	1484	0.00
3	A_g	1503	1433	0.00
4	A_g	1123	1071	0.00
5	A_g	1104	1053	0.00
6	A_g	470	448	0.00
7	A_u	3155	3009	62.89
8	A_u	1270	1211	4.78
9	A_u	829	791	0.28
10	A_u	136	130	14.67
11	B_g	3131	2985	0.00
12	B_g	1330	1268	0.00
13	B_g	1208	1151	0.00
14	B_u	3087	2943	61.17
15	B_u	1565	1492	2.79
16	B_u	1392	1327	14.47
17	B_u	1114	1062	197.84
18	B_u	289	275	21.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.628	0.000
C2	-0.425	-0.628	0.000
F3	-0.425	1.722	0.000
F4	0.425	-1.722	0.000
H5	1.054	0.671	0.895
H6	1.054	0.671	-0.895
H7	-1.054	-0.671	0.895
H8	-1.054	-0.671	-0.895

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5168	1.3853	2.3507	1.0946	1.0946	2.1623	2.1623
C2	1.5168		2.3507	1.3853	2.1623	2.1623	1.0946	1.0946
F3	1.3853	2.3507		3.5481	2.0228	2.0228	2.6317	2.6317
F4	2.3507	1.3853	3.5481		2.6317	2.6317	2.0228	2.0228
H5	1.0946	2.1623	2.0228	2.6317		1.7899	2.4986	3.0736
H6	1.0946	2.1623	2.0228	2.6317	1.7899		3.0736	2.4986
H7	2.1623	1.0946	2.6317	2.0228	2.4986	3.0736		1.7899
H8	2.1623	1.0946	2.6317	2.0228	3.0736	2.4986	1.7899

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

using model chemistry: CCSD/6-311G*

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	108.104	C1	C2	H7	110.753
C1	C2	H8	110.753	C2	C1	F3	108.104
C2	C1	H5	110.753	C2	C1	H6	110.753
F3	C1	H5	108.743	F3	C1	H6	108.743
F4	C2	H7	108.743	F4	C2	H8	108.743
H5	C1	H6	109.684	H7	C2	H8	109.684

	hartrees
Energy at 0K	-277.698759
Energy at 298.15K
HF Energy	-276.995076
Nuclear repulsion energy	127.871899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3124	2979	19.31
2	A	3075	2932	37.68
3	A	1537	1465	0.03
4	A	1487	1418	18.41
5	A	1334	1272	2.25
6	A	1164	1110	1.70
7	A	1157	1103	80.10
8	A	898	856	27.74
9	A	333	318	0.29
10	A	154	147	4.03
11	B	3136	2990	47.16
12	B	3063	2921	15.68
13	B	1535	1464	7.32
14	B	1444	1377	11.48
15	B	1292	1232	5.62
16	B	1128	1075	43.93
17	B	928	885	41.19
18	B	509	486	17.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	0.705	0.512
C2	-0.266	-0.705	0.512
F3	-0.266	1.417	-0.548
F4	0.266	-1.417	-0.548
H5	-0.019	1.212	1.443
H6	1.356	0.701	0.410
H7	0.019	-1.212	1.443
H8	-1.356	-0.701	0.410

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5066	1.3830	2.3717	1.0972	1.0953	2.1448	2.1489
C2	1.5066		2.3717	1.3830	2.1448	2.1489	1.0972	1.0953
F3	1.3830	2.3717		2.8828	2.0161	2.0149	3.3094	2.5675
F4	2.3717	1.3830	2.8828		3.3094	2.5675	2.0161	2.0149
H5	1.0972	2.1448	2.0161	3.3094		1.7940	2.4239	2.5521
H6	1.0953	2.1489	2.0149	2.5675	1.7940		2.5521	3.0534
H7	2.1448	1.0972	3.3094	2.0161	2.4239	2.5521		1.7940
H8	2.1489	1.0953	2.5675	2.0149	2.5521	3.0534	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	110.250	C1	C2	H7	109.927
C1	C2	H8	110.360	C2	C1	F3	110.250
C2	C1	H5	109.927	C2	C1	H6	110.360
F3	C1	H5	108.210	F3	C1	H6	108.224
F4	C2	H7	108.210	F4	C2	H8	108.224
H5	C1	H6	109.824	H7	C2	H8	109.824

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

using model chemistry: CCSD/6-311G*

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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