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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	-277.601326
Energy at 298.15K
HF Energy	-276.943753
Nuclear repulsion energy	125.203203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3155	2973	0.00
2	A_g	1573	1482	0.00
3	A_g	1496	1409	0.00
4	A_g	1129	1064	0.00
5	A_g	1089	1026	0.00
6	A_g	464	437	0.00
7	A_u	3236	3049	41.60
8	A_u	1257	1185	5.44
9	A_u	831	783	0.18
10	A_u	125	117	16.86
11	B_g	3213	3028	0.00
12	B_g	1327	1250	0.00
13	B_g	1203	1133	0.00
14	B_u	3159	2977	50.41
15	B_u	1578	1487	2.29
16	B_u	1387	1307	16.21
17	B_u	1097	1033	218.92
18	B_u	288	271	24.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.430	0.624	0.000
C2	-0.430	-0.624	0.000
F3	-0.430	1.729	0.000
F4	0.430	-1.729	0.000
H5	1.051	0.677	0.892
H6	1.051	0.677	-0.892
H7	-1.051	-0.677	0.892
H8	-1.051	-0.677	-0.892

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5156	1.4006	2.3535	1.0887	1.0887	2.1639	2.1639
C2	1.5156		2.3535	1.4006	2.1639	2.1639	1.0887	1.0887
F3	1.4006	2.3535		3.5643	2.0246	2.0246	2.6405	2.6405
F4	2.3535	1.4006	3.5643		2.6405	2.6405	2.0246	2.0246
H5	1.0887	2.1639	2.0246	2.6405		1.7849	2.5005	3.0722
H6	1.0887	2.1639	2.0246	2.6405	1.7849		3.0722	2.5005
H7	2.1639	1.0887	2.6405	2.0246	2.5005	3.0722		1.7849
H8	2.1639	1.0887	2.6405	2.0246	3.0722	2.5005	1.7849

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

using model chemistry: CCD/6-31+G**

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	107.547	C1	C2	H7	111.329
C1	C2	H8	111.329	C2	C1	F3	107.547
C2	C1	H5	111.329	C2	C1	H6	111.329
F3	C1	H5	108.190	F3	C1	H6	108.190
F4	C2	H7	108.190	F4	C2	H8	108.190
H5	C1	H6	110.119	H7	C2	H8	110.119

	hartrees
Energy at 0K	-277.601736
Energy at 298.15K
HF Energy	-276.943563
Nuclear repulsion energy	127.390219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3018	10.68
2	A	3143	2962	38.46
3	A	1549	1460	0.33
4	A	1487	1401	18.44
5	A	1327	1250	2.55
6	A	1164	1096	5.59
7	A	1151	1085	78.56
8	A	899	847	31.26
9	A	328	309	0.32
10	A	151	142	4.56
11	B	3215	3029	32.20
12	B	3133	2952	9.25
13	B	1546	1457	5.78
14	B	1442	1358	16.04
15	B	1284	1210	5.95
16	B	1118	1054	49.19
17	B	927	874	44.75
18	B	507	478	19.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.269	0.703	0.519
C2	-0.269	-0.703	0.519
F3	-0.269	1.422	-0.551
F4	0.269	-1.422	-0.551
H5	-0.018	1.213	1.440
H6	1.353	0.705	0.410
H7	0.018	-1.213	1.440
H8	-1.353	-0.705	0.410

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5048	1.3970	2.3786	1.0915	1.0892	2.1402	2.1502
C2	1.5048		2.3786	1.3970	2.1402	2.1502	1.0915	1.0892
F3	1.3970	2.3786		2.8940	2.0180	2.0175	3.3147	2.5729
F4	2.3786	1.3970	2.8940		3.3147	2.5729	2.0180	2.0175
H5	1.0915	2.1402	2.0180	3.3147		1.7882	2.4255	2.5533
H6	1.0892	2.1502	2.0175	2.5729	1.7882		2.5533	3.0509
H7	2.1402	1.0915	3.3147	2.0180	2.4255	2.5533		1.7882
H8	2.1502	1.0892	2.5729	2.0175	2.5533	3.0509	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	110.047	C1	C2	H7	110.017
C1	C2	H8	110.955	C2	C1	F3	110.047
C2	C1	H5	110.017	C2	C1	H6	110.955
F3	C1	H5	107.737	F3	C1	H6	107.836
F4	C2	H7	107.737	F4	C2	H8	107.836
H5	C1	H6	110.170	H7	C2	H8	110.170

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

using model chemistry: CCD/6-31+G**

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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