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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	-277.730799
Energy at 298.15K
HF Energy	-277.002647
Nuclear repulsion energy	125.757954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3095	3095	0.00
2	A_g	1548	1548	0.00
3	A_g	1505	1505	0.00
4	A_g	1125	1125	0.00
5	A_g	1107	1107	0.00
6	A_g	470	470	0.00
7	A_u	3166	3166	61.77
8	A_u	1273	1273	5.71
9	A_u	834	834	0.56
10	A_u	135	135	13.89
11	B_g	3142	3142	0.00
12	B_g	1326	1326	0.00
13	B_g	1209	1209	0.00
14	B_u	3098	3098	60.17
15	B_u	1555	1555	2.35
16	B_u	1397	1397	19.31
17	B_u	1120	1120	193.46
18	B_u	288	288	20.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.630	0.000
C2	-0.425	-0.630	0.000
F3	-0.425	1.722	0.000
F4	0.425	-1.722	0.000
H5	1.054	0.669	0.894
H6	1.054	0.669	-0.894
H7	-1.054	-0.669	0.894
H8	-1.054	-0.669	-0.894

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5189	1.3834	2.3512	1.0939	1.0939	2.1612	2.1612
C2	1.5189		2.3512	1.3834	2.1612	2.1612	1.0939	1.0939
F3	1.3834	2.3512		3.5464	2.0232	2.0232	2.6284	2.6284
F4	2.3512	1.3834	3.5464		2.6284	2.6284	2.0232	2.0232
H5	1.0939	2.1612	2.0232	2.6284		1.7883	2.4959	3.0704
H6	1.0939	2.1612	2.0232	2.6284	1.7883		3.0704	2.4959
H7	2.1612	1.0939	2.6284	2.0232	2.4959	3.0704		1.7883
H8	2.1612	1.0939	2.6284	2.0232	3.0704	2.4959	1.7883

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	108.120	C1	C2	H7	110.562
C1	C2	H8	110.562	C2	C1	F3	108.120
C2	C1	H5	110.562	C2	C1	H6	110.562
F3	C1	H5	108.951	F3	C1	H6	108.951
F4	C2	H7	108.951	F4	C2	H8	108.951
H5	C1	H6	109.648	H7	C2	H8	109.648

	hartrees
Energy at 0K	-277.730999
Energy at 298.15K
HF Energy	-277.002379
Nuclear repulsion energy	127.945170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3135	3135	19.14
2	A	3087	3087	37.35
3	A	1527	1527	0.60
4	A	1489	1489	18.13
5	A	1335	1335	2.12
6	A	1163	1163	60.00
7	A	1160	1160	20.90
8	A	898	898	27.82
9	A	330	330	0.19
10	A	155	155	3.82
11	B	3148	3148	46.78
12	B	3075	3075	15.13
13	B	1524	1524	7.57
14	B	1441	1441	12.79
15	B	1297	1297	6.39
16	B	1131	1131	41.89
17	B	930	930	40.84
18	B	508	508	17.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.265	0.706	0.513
C2	-0.265	-0.706	0.513
F3	-0.265	1.414	-0.549
F4	0.265	-1.414	-0.549
H5	-0.025	1.208	1.444
H6	1.355	0.701	0.417
H7	0.025	-1.208	1.444
H8	-1.355	-0.701	0.417

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5087	1.3815	2.3714	1.0964	1.0945	2.1420	2.1477
C2	1.5087		2.3714	1.3815	2.1420	2.1477	1.0964	1.0945
F3	1.3815	2.3714		2.8771	2.0179	2.0161	3.3059	2.5678
F4	2.3714	1.3815	2.8771		3.3059	2.5678	2.0179	2.0161
H5	1.0964	2.1420	2.0179	3.3059		1.7931	2.4160	2.5430
H6	1.0945	2.1477	2.0161	2.5678	1.7931		2.5430	3.0509
H7	2.1420	1.0964	3.3059	2.0179	2.4160	2.5430		1.7931
H8	2.1477	1.0945	2.5678	2.0161	2.5430	3.0509	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	110.195	C1	C2	H7	109.611
C1	C2	H8	110.167	C2	C1	F3	110.195
C2	C1	H5	109.611	C2	C1	H6	110.167
F3	C1	H5	108.502	F3	C1	H6	108.474
F4	C2	H7	108.502	F4	C2	H8	108.474
H5	C1	H6	109.862	H7	C2	H8	109.862

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)