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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	-277.593862
Energy at 298.15K
HF Energy	-276.927412
Nuclear repulsion energy	125.344674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3118	2957
2	A_g	1574	1493
3	A_g	1501	1423
4	A_g	1119	1061
5	A_g	1098	1042
6	A_g	464	440
7	A_u	3193	3029
8	A_u	1256	1192
9	A_u	827	785
10	A_u	137	130
11	B_g	3170	3007
12	B_g	1324	1256
13	B_g	1209	1147
14	B_u	3121	2961
15	B_u	1583	1501
16	B_u	1388	1317
17	B_u	1109	1052
18	B_u	276	262

Atom	x (Å)	y (Å)	z (Å)
C1	0.428	0.626	0.000
C2	-0.428	-0.626	0.000
F3	-0.428	1.727	0.000
F4	0.428	-1.727	0.000
H5	1.058	0.661	0.891
H6	1.058	0.661	-0.891
H7	-1.058	-0.661	0.891
H8	-1.058	-0.661	-0.891

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5165	1.3956	2.3530	1.0914	1.0914	2.1584	2.1584
C2	1.5165		2.3530	1.3956	2.1584	2.1584	1.0914	1.0914
F3	1.3956	2.3530		3.5594	2.0346	2.0346	2.6259	2.6259
F4	2.3530	1.3956	3.5594		2.6259	2.6259	2.0346	2.0346
H5	1.0914	2.1584	2.0346	2.6259		1.7817	2.4952	3.0660
H6	1.0914	2.1584	2.0346	2.6259	1.7817		3.0660	2.4952
H7	2.1584	1.0914	2.6259	2.0346	2.4952	3.0660		1.7817
H8	2.1584	1.0914	2.6259	2.0346	3.0660	2.4952	1.7817

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

using model chemistry: CCSD(T)/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	107.730	C1	C2	H7	110.657
C1	C2	H8	110.657	C2	C1	F3	107.730
C2	C1	H5	110.657	C2	C1	H6	110.657
F3	C1	H5	109.171	F3	C1	H6	109.171
F4	C2	H7	109.171	F4	C2	H8	109.171
H5	C1	H6	109.413	H7	C2	H8	109.413

	hartrees
Energy at 0K	-277.593900
Energy at 298.15K
HF Energy	-276.926807
Nuclear repulsion energy	127.706826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3160	2998
2	A	3107	2947
3	A	1556	1476
4	A	1489	1412
5	A	1324	1255
6	A	1169	1109
7	A	1151	1092
8	A	904	857
9	A	327	310
10	A	148	141
11	B	3173	3010
12	B	3096	2936
13	B	1553	1473
14	B	1450	1375
15	B	1282	1216
16	B	1122	1064
17	B	930	882
18	B	503	477

Atom	x (Å)	y (Å)	z (Å)
C1	0.265	0.705	0.524
C2	-0.265	-0.705	0.524
F3	-0.265	1.404	-0.559
F4	0.265	-1.404	-0.559
H5	-0.028	1.214	1.447
H6	1.353	0.701	0.438
H7	0.028	-1.214	1.447
H8	-1.353	-0.701	0.438

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5067	1.3927	2.3709	1.0940	1.0921	2.1432	2.1454
C2	1.5067		2.3709	1.3927	2.1432	2.1454	1.0940	1.0921
F3	1.3927	2.3709		2.8574	2.0285	2.0263	3.3111	2.5712
F4	2.3709	1.3927	2.8574		3.3111	2.5712	2.0285	2.0263
H5	1.0940	2.1432	2.0285	3.3111		1.7855	2.4291	2.5381
H6	1.0921	2.1454	2.0263	2.5712	1.7855		2.5381	3.0481
H7	2.1432	1.0940	3.3111	2.0285	2.4291	2.5381		1.7855
H8	2.1454	1.0921	2.5712	2.0263	2.5381	3.0481	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.652	C1	C2	H7	109.978
C1	C2	H8	110.262	C2	C1	F3	109.652
C2	C1	H5	109.978	C2	C1	H6	110.262
F3	C1	H5	108.729	F3	C1	H6	108.667
F4	C2	H7	108.729	F4	C2	H8	108.667
H5	C1	H6	109.521	H7	C2	H8	109.521

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

using model chemistry: CCSD(T)/6-31G**

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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