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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	-277.545791
Energy at 298.15K
HF Energy	-276.920442
Nuclear repulsion energy	125.376473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3102	2929	0.00
2	A_g	1578	1490	0.00
3	A_g	1505	1421	0.00
4	A_g	1130	1067	0.00
5	A_g	1109	1047	0.00
6	A_g	468	442	0.00
7	A_u	3171	2995	63.43
8	A_u	1259	1189	3.31
9	A_u	834	787	0.19
10	A_u	139	131	13.56
11	B_g	3149	2973	0.00
12	B_g	1326	1252	0.00
13	B_g	1213	1145	0.00
14	B_u	3105	2932	54.42
15	B_u	1586	1497	2.05
16	B_u	1390	1313	17.89
17	B_u	1120	1057	177.49
18	B_u	281	265	20.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.428	0.625	0.000
C2	-0.428	-0.625	0.000
F3	-0.428	1.725	0.000
F4	0.428	-1.725	0.000
H5	1.060	0.664	0.894
H6	1.060	0.664	-0.894
H7	-1.060	-0.664	0.894
H8	-1.060	-0.664	-0.894

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5151	1.3945	2.3496	1.0953	1.0953	2.1625	2.1625
C2	1.5151		2.3496	1.3945	2.1625	2.1625	1.0953	1.0953
F3	1.3945	2.3496		3.5547	2.0347	2.0347	2.6279	2.6279
F4	2.3496	1.3945	3.5547		2.6279	2.6279	2.0347	2.0347
H5	1.0953	2.1625	2.0347	2.6279		1.7881	2.5018	3.0751
H6	1.0953	2.1625	2.0347	2.6279	1.7881		3.0751	2.5018
H7	2.1625	1.0953	2.6279	2.0347	2.5018	3.0751		1.7881
H8	2.1625	1.0953	2.6279	2.0347	3.0751	2.5018	1.7881

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

using model chemistry: CCSD/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	107.641	C1	C2	H7	110.843
C1	C2	H8	110.843	C2	C1	F3	107.641
C2	C1	H5	110.843	C2	C1	H6	110.843
F3	C1	H5	109.021	F3	C1	H6	109.021
F4	C2	H7	109.021	F4	C2	H8	109.021
H5	C1	H6	109.420	H7	C2	H8	109.420

	hartrees
Energy at 0K	-277.545866
Energy at 298.15K
HF Energy	-276.919728
Nuclear repulsion energy	127.729292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3140	2966	17.37
2	A	3092	2920	36.06
3	A	1559	1472	0.03
4	A	1492	1409	20.32
5	A	1327	1253	1.31
6	A	1175	1110	1.10
7	A	1160	1096	72.19
8	A	912	861	25.79
9	A	332	313	0.42
10	A	148	139	3.55
11	B	3153	2977	47.80
12	B	3081	2909	14.64
13	B	1557	1470	4.81
14	B	1454	1373	13.71
15	B	1285	1213	4.19
16	B	1132	1069	34.71
17	B	937	885	35.71
18	B	509	480	17.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	0.704	0.523
C2	-0.266	-0.704	0.523
F3	-0.266	1.403	-0.557
F4	0.266	-1.403	-0.557
H5	-0.021	1.220	1.448
H6	1.358	0.699	0.428
H7	0.021	-1.220	1.448
H8	-1.358	-0.699	0.428

	C1	C2	F3	F4	H5	H6	H7	H8
C1		1.5056	1.3918	2.3675	1.0978	1.0959	2.1495	2.1488
C2	1.5056		2.3675	1.3918	2.1495	2.1488	1.0978	1.0959
F3	1.3918	2.3675		2.8562	2.0281	2.0260	3.3142	2.5656
F4	2.3675	1.3918	2.8562		3.3142	2.5656	2.0281	2.0260
H5	1.0978	2.1495	2.0281	3.3142		1.7923	2.4410	2.5522
H6	1.0959	2.1488	2.0260	2.5656	1.7923		2.5522	3.0552
H7	2.1495	1.0978	3.3142	2.0281	2.4410	2.5522		1.7923
H8	2.1488	1.0959	2.5656	2.0260	2.5522	3.0552	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.530	C1	C2	H7	110.325
C1	C2	H8	110.384	C2	C1	F3	109.530
C2	C1	H5	110.325	C2	C1	H6	110.384
F3	C1	H5	108.518	F3	C1	H6	108.468
F4	C2	H7	108.518	F4	C2	H8	108.468
H5	C1	H6	109.571	H7	C2	H8	109.571

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

using model chemistry: CCSD/6-31G*

States and conformations

Conformer 1 (C2H anti)

Conformer 2 (C2 gauche)

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