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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	-277.466375
Energy at 298.15K
HF Energy	-276.921653
Nuclear repulsion energy	126.202725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3194	2950	0.00
2	A_g	1620	1497	0.00
3	A_g	1553	1434	0.00
4	A_g	1161	1073	0.00
5	A_g	1148	1060	0.00
6	A_g	482	445	0.00
7	A_u	3266	3017	63.62
8	A_u	1299	1200	4.38
9	A_u	854	789	0.22
10	A_u	142	131	14.42
11	B_g	3243	2995	0.00
12	B_g	1365	1261	0.00
13	B_g	1247	1152	0.00
14	B_u	3197	2953	55.05
15	B_u	1628	1504	2.58
16	B_u	1434	1325	20.21
17	B_u	1163	1074	201.08
18	B_u	290	268	21.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.624	0.000
C2	-0.425	-0.624	0.000
F3	-0.425	1.714	0.000
F4	0.425	-1.714	0.000
H5	1.053	0.664	0.888
H6	1.053	0.664	-0.888
H7	-1.053	-0.664	0.888
H8	-1.053	-0.664	-0.888

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5097	1.3827	2.3377	1.0879	1.0879	2.1518	2.1518
C2	1.5097		2.3377	1.3827	2.1518	2.1518	1.0879	1.0879
F3	1.3827	2.3377		3.5319	2.0187	2.0187	2.6146	2.6146
F4	2.3377	1.3827	3.5319		2.6146	2.6146	2.0187	2.0187
H5	1.0879	2.1518	2.0187	2.6146		1.7753	2.4894	3.0575
H6	1.0879	2.1518	2.0187	2.6146	1.7753		3.0575	2.4894
H7	2.1518	1.0879	2.6146	2.0187	2.4894	3.0575		1.7753
H8	2.1518	1.0879	2.6146	2.0187	3.0575	2.4894	1.7753

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

using model chemistry: CID/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	107.765	C1	C2	H7	110.825
C1	C2	H8	110.825	C2	C1	F3	107.765
C2	C1	H5	110.825	C2	C1	H6	110.825
F3	C1	H5	109.008	F3	C1	H6	109.008
F4	C2	H7	109.008	F4	C2	H8	109.008
H5	C1	H6	109.361	H7	C2	H8	109.361

	hartrees
Energy at 0K	-277.466241
Energy at 298.15K
HF Energy	-276.920930
Nuclear repulsion energy	128.538846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3235	2988	18.81
2	A	3186	2943	34.79
3	A	1602	1479	0.03
4	A	1541	1423	22.68
5	A	1368	1264	1.99
6	A	1208	1116	21.24
7	A	1199	1108	63.83
8	A	938	866	26.76
9	A	339	314	0.41
10	A	150	139	3.85
11	B	3248	3000	47.85
12	B	3173	2931	14.94
13	B	1599	1477	5.19
14	B	1498	1384	15.35
15	B	1326	1224	5.45
16	B	1172	1083	40.78
17	B	966	892	38.21
18	B	523	483	18.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.264	0.702	0.518
C2	-0.264	-0.702	0.518
F3	-0.264	1.396	-0.552
F4	0.264	-1.396	-0.552
H5	-0.024	1.213	1.437
H6	1.348	0.700	0.427
H7	0.024	-1.213	1.437
H8	-1.348	-0.700	0.427

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5005	1.3803	2.3557	1.0901	1.0884	2.1381	2.1388
C2	1.5005		2.3557	1.3803	2.1381	2.1388	1.0901	1.0884
F3	1.3803	2.3557		2.8419	2.0121	2.0106	3.2938	2.5554
F4	2.3557	1.3803	2.8419		3.2938	2.5554	2.0121	2.0106
H5	1.0901	2.1381	2.0121	3.2938		1.7794	2.4267	2.5369
H6	1.0884	2.1388	2.0106	2.5554	1.7794		2.5369	3.0387
H7	2.1381	1.0901	3.2938	2.0121	2.4267	2.5369		1.7794
H8	2.1388	1.0884	2.5554	2.0106	2.5369	3.0387	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.647	C1	C2	H7	110.237
C1	C2	H8	110.396	C2	C1	F3	109.647
C2	C1	H5	110.237	C2	C1	H6	110.396
F3	C1	H5	108.504	F3	C1	H6	108.486
F4	C2	H7	108.504	F4	C2	H8	108.486
H5	C1	H6	109.526	H7	C2	H8	109.526

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

using model chemistry: CID/6-31G*

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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