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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	-277.550125
Energy at 298.15K
HF Energy	-276.927669
Nuclear repulsion energy	125.564020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3155	2954	0.00
2	A_g	1586	1485	0.00
3	A_g	1511	1415	0.00
4	A_g	1134	1062	0.00
5	A_g	1108	1038	0.00
6	A_g	468	438	0.00
7	A_u	3239	3033	61.38
8	A_u	1264	1184	3.35
9	A_u	838	784	0.27
10	A_u	141	132	12.55
11	B_g	3216	3012	0.00
12	B_g	1337	1252	0.00
13	B_g	1217	1140	0.00
14	B_u	3159	2959	56.86
15	B_u	1595	1493	1.94
16	B_u	1398	1309	20.33
17	B_u	1120	1049	168.10
18	B_u	278	260	19.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.427	0.623	0.000
C2	-0.427	-0.623	0.000
F3	-0.427	1.725	0.000
F4	0.427	-1.725	0.000
H5	1.056	0.658	0.889
H6	1.056	0.658	-0.889
H7	-1.056	-0.658	0.889
H8	-1.056	-0.658	-0.889

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5115	1.3942	2.3486	1.0891	1.0891	2.1522	2.1522
C2	1.5115		2.3486	1.3942	2.1522	2.1522	1.0891	1.0891
F3	1.3942	2.3486		3.5546	2.0315	2.0315	2.6204	2.6204
F4	2.3486	1.3942	3.5546		2.6204	2.6204	2.0315	2.0315
H5	1.0891	2.1522	2.0315	2.6204		1.7774	2.4884	3.0580
H6	1.0891	2.1522	2.0315	2.6204	1.7774		3.0580	2.4884
H7	2.1522	1.0891	2.6204	2.0315	2.4884	3.0580		1.7774
H8	2.1522	1.0891	2.6204	2.0315	3.0580	2.4884	1.7774

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

using model chemistry: MP2/6-31G**

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	107.788	C1	C2	H7	110.653
C1	C2	H8	110.653	C2	C1	F3	107.788
C2	C1	H5	110.653	C2	C1	H6	110.653
F3	C1	H5	109.166	F3	C1	H6	109.166
F4	C2	H7	109.166	F4	C2	H8	109.166
H5	C1	H6	109.375	H7	C2	H8	109.375

	hartrees
Energy at 0K	-277.550356
Energy at 298.15K
HF Energy	-276.927030
Nuclear repulsion energy	127.919336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3001	17.21
2	A	3143	2943	38.22
3	A	1565	1465	0.23
4	A	1499	1403	20.54
5	A	1336	1251	0.83
6	A	1178	1103	0.04
7	A	1161	1088	70.92
8	A	913	855	25.57
9	A	330	309	0.35
10	A	151	142	3.24
11	B	3217	3013	46.20
12	B	3134	2935	14.37
13	B	1562	1462	4.58
14	B	1459	1367	15.52
15	B	1291	1209	4.12
16	B	1130	1059	32.90
17	B	936	877	34.69
18	B	507	475	16.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.263	0.703	0.524
C2	-0.263	-0.703	0.524
F3	-0.263	1.402	-0.558
F4	0.263	-1.402	-0.558
H5	-0.028	1.211	1.445
H6	1.350	0.699	0.439
H7	0.028	-1.211	1.445
H8	-1.350	-0.699	0.439

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5016	1.3916	2.3667	1.0917	1.0898	2.1371	2.1389
C2	1.5016		2.3667	1.3916	2.1371	2.1389	1.0917	1.0898
F3	1.3916	2.3667		2.8529	2.0261	2.0231	3.3053	2.5667
F4	2.3667	1.3916	2.8529		3.3053	2.5667	2.0261	2.0231
H5	1.0917	2.1371	2.0261	3.3053		1.7814	2.4224	2.5307
H6	1.0898	2.1389	2.0231	2.5667	1.7814		2.5307	3.0401
H7	2.1371	1.0917	3.3053	2.0261	2.4224	2.5307		1.7814
H8	2.1389	1.0898	2.5667	2.0231	2.5307	3.0401	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.721	C1	C2	H7	109.988
C1	C2	H8	110.242	C2	C1	F3	109.721
C2	C1	H5	109.988	C2	C1	H6	110.242
F3	C1	H5	108.751	F3	C1	H6	108.626
F4	C2	H7	108.751	F4	C2	H8	108.626
H5	C1	H6	109.481	H7	C2	H8	109.481

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

using model chemistry: MP2/6-31G**

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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