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	hartrees
Energy at 0K	-258.615382
Energy at 298.15K	-258.616055
HF Energy	-258.144222
Nuclear repulsion energy	156.097669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3512	3122	0.00
2	A_g	2085	1853	0.00
3	A_g	1733	1540	0.00
4	A_g	1400	1244	0.00
5	A_g	1032	917	0.00
6	A_g	524	465	0.00
7	A_g	242	215	0.00
8	A_u	1066	947	18.59
9	A_u	536	477	1.51
10	A_u	123	109	8.74
11	B_g	863	767	0.00
12	B_g	351	312	0.00
13	B_u	3505	3116	24.53
14	B_u	2087	1855	103.88
15	B_u	1365	1213	2.04
16	B_u	993	882	0.57
17	B_u	514	457	0.10
18	B_u	130	115	9.55

Atom	x (Å)	y (Å)
C1	-0.344	0.589
C2	0.344	-0.589
C3	0.344	1.897
C4	-0.344	-1.897
N5	0.916	2.987
N6	-0.916	-2.987
H7	-1.448	0.604
H8	1.448	-0.604

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3647	1.4774	2.4866	2.7081	3.6215	1.1041	2.1526
C2	1.3647		2.4866	1.4774	3.6215	2.7081	2.1526	1.1041
C3	1.4774	2.4866		3.8561	1.2307	5.0436	2.2094	2.7340
C4	2.4866	1.4774	3.8561		5.0436	1.2307	2.7340	2.2094
N5	2.7081	3.6215	1.2307	5.0436		6.2478	3.3564	3.6296
N6	3.6215	2.7081	5.0436	1.2307	6.2478		3.6296	3.3564
H7	1.1041	2.1526	2.2094	2.7340	3.3564	3.6296		3.1373
H8	2.1526	1.1041	2.7340	2.2094	3.6296	3.3564	3.1373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.022	C1	C2	H8	121.003
C1	C3	N5	179.999	C2	C1	C3	122.022
C2	C1	H7	121.003	C2	C4	N6	179.999
C3	C1	H7	116.975	C4	C2	H8	116.975

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2=FULL/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H2N2 (Fumaronitrile)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)