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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	-277.562062
Energy at 298.15K
HF Energy	-276.919790
Nuclear repulsion energy	125.052908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3084	2945
2	A_g	1569	1498
3	A_g	1491	1423
4	A_g	1121	1070
5	A_g	1084	1035
6	A_g	461	440
7	A_u	3158	3015
8	A_u	1246	1190
9	A_u	827	790
10	A_u	137	131
11	B_g	3135	2993
12	B_g	1317	1258
13	B_g	1203	1149
14	B_u	3088	2948
15	B_u	1577	1506
16	B_u	1379	1317
17	B_u	1094	1045
18	B_u	274	261

Atom	x (Å)	y (Å)	z (Å)
C1	0.430	0.625	0.000
C2	-0.430	-0.625	0.000
F3	-0.430	1.730	0.000
F4	0.430	-1.730	0.000
H5	1.062	0.663	0.896
H6	1.062	0.663	-0.896
H7	-1.062	-0.663	0.896
H8	-1.062	-0.663	-0.896

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5162	1.4002	2.3544	1.0970	1.0970	2.1644	2.1644
C2	1.5162		2.3544	1.4002	2.1644	2.1644	1.0970	1.0970
F3	1.4002	2.3544		3.5649	2.0413	2.0413	2.6318	2.6318
F4	2.3544	1.4002	3.5649		2.6318	2.6318	2.0413	2.0413
H5	1.0970	2.1644	2.0413	2.6318		1.7910	2.5038	3.0785
H6	1.0970	2.1644	2.0413	2.6318	1.7910		3.0785	2.5038
H7	2.1644	1.0970	2.6318	2.0413	2.5038	3.0785		1.7910
H8	2.1644	1.0970	2.6318	2.0413	3.0785	2.5038	1.7910

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

using model chemistry: MP4/6-31G*

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	107.598	C1	C2	H7	110.820
C1	C2	H8	110.820	C2	C1	F3	107.598
C2	C1	H5	110.820	C2	C1	H6	110.820
F3	C1	H5	109.053	F3	C1	H6	109.053
F4	C2	H7	109.053	F4	C2	H8	109.053
H5	C1	H6	109.444	H7	C2	H8	109.444

	hartrees
Energy at 0K	-277.562258
Energy at 298.15K
HF Energy	-276.919082
Nuclear repulsion energy	127.421293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3125	2984
2	A	3073	2934
3	A	1550	1480
4	A	1477	1411
5	A	1314	1255
6	A	1167	1114
7	A	1139	1087
8	A	901	861
9	A	329	314
10	A	148	142
11	B	3138	2996
12	B	3062	2924
13	B	1548	1478
14	B	1442	1377
15	B	1271	1214
16	B	1110	1060
17	B	925	883
18	B	502	480

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	0.705	0.525
C2	-0.267	-0.705	0.525
F3	-0.267	1.405	-0.560
F4	0.267	-1.405	-0.560
H5	-0.022	1.222	1.452
H6	1.360	0.699	0.432
H7	0.022	-1.222	1.452
H8	-1.360	-0.699	0.432

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5071	1.3972	2.3724	1.0996	1.0976	2.1517	2.1508
C2	1.5071		2.3724	1.3972	2.1517	2.1508	1.0996	1.0976
F3	1.3972	2.3724		2.8601	2.0346	2.0322	3.3211	2.5701
F4	2.3724	1.3972	2.8601		3.3211	2.5701	2.0346	2.0322
H5	1.0996	2.1517	2.0346	3.3211		1.7957	2.4440	2.5533
H6	1.0976	2.1508	2.0322	2.5701	1.7957		2.5533	3.0587
H7	2.1517	1.0996	3.3211	2.0346	2.4440	2.5533		1.7957
H8	2.1508	1.0976	2.5701	2.0322	2.5533	3.0587	1.7957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.482	C1	C2	H7	110.290
C1	C2	H8	110.344	C2	C1	F3	109.482
C2	C1	H5	110.290	C2	C1	H6	110.344
F3	C1	H5	108.563	F3	C1	H6	108.496
F4	C2	H7	108.563	F4	C2	H8	108.496
H5	C1	H6	109.623	H7	C2	H8	109.623

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

using model chemistry: MP4/6-31G*

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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