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	hartrees
Energy at 0K	-262.331006
Energy at 298.15K	-262.332084
HF Energy	-261.512064
Nuclear repulsion energy	160.885067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3262	3092	0.00
2	A_g	2414	2289	0.00
3	A_g	1718	1628	0.00
4	A_g	1327	1258	0.00
5	A_g	1034	980	0.00
6	A_g	536	508	0.00
7	A_g	252	239	0.00
8	A_u	986	935	47.12
9	A_u	541	513	2.13
10	A_u	126	119	14.23
11	B_g	846	802	0.00
12	B_g	373	354	0.00
13	B_u	3265	3095	6.93
14	B_u	2422	2296	0.09
15	B_u	1288	1221	0.58
16	B_u	1032	978	10.15
17	B_u	527	500	1.12
18	B_u	135	128	16.99

Atom	x (Å)	y (Å)
C1	-0.342	0.583
C2	0.342	-0.583
C3	0.342	1.857
C4	-0.342	-1.857
N5	0.878	2.891
N6	-0.878	-2.891
H7	-1.435	0.605
H8	1.435	-0.605

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3518	1.4465	2.4401	2.6110	3.5152	1.0932	2.1376
C2	1.3518		2.4401	1.4465	3.5152	2.6110	2.1376	1.0932
C3	1.4465	2.4401		3.7770	1.1646	4.9027	2.1743	2.6936
C4	2.4401	1.4465	3.7770		4.9027	1.1646	2.6936	2.1743
N5	2.6110	3.5152	1.1646	4.9027		6.0432	3.2525	3.5400
N6	3.5152	2.6110	4.9027	1.1646	6.0432		3.5400	3.2525
H7	1.0932	2.1376	2.1743	2.6936	3.2525	3.5400		3.1146
H8	2.1376	1.0932	2.6936	2.1743	3.5400	3.2525	3.1146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.347	C1	C2	H8	121.560
C1	C3	N5	179.158	C2	C1	C3	121.347
C2	C1	H7	121.560	C2	C4	N6	179.158
C3	C1	H7	117.093	C4	C2	H8	117.093

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP3/cc-pVDZ

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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)