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	hartrees
Energy at 0K	-262.506770
Energy at 298.15K	-262.507828
HF Energy	-261.539129
Nuclear repulsion energy	161.269207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3229	3058	0.00
2	A_g	2172	2057	0.00
3	A_g	1661	1574	0.00
4	A_g	1337	1266	0.00
5	A_g	1031	976	0.00
6	A_g	532	503	0.00
7	A_g	250	236	0.00
8	A_u	974	923	59.12
9	A_u	544	516	2.49
10	A_u	125	119	13.88
11	B_g	847	802	0.00
12	B_g	376	356	0.00
13	B_u	3234	3063	6.75
14	B_u	2190	2074	16.69
15	B_u	1310	1241	1.61
16	B_u	1024	970	4.68
17	B_u	528	501	0.98
18	B_u	134	127	17.04

Atom	x (Å)	y (Å)
C1	-0.339	0.584
C2	0.339	-0.584
C3	0.339	1.839
C4	-0.339	-1.839
N5	0.885	2.881
N6	-0.885	-2.881
H7	-1.425	0.599
H8	1.425	-0.599

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3506	1.4272	2.4230	2.6038	3.5080	1.0861	2.1246
C2	1.3506		2.4230	1.4272	3.5080	2.6038	2.1246	1.0861
C3	1.4272	2.4230		3.7405	1.1766	4.8770	2.1571	2.6692
C4	2.4230	1.4272	3.7405		4.8770	1.1766	2.6692	2.1571
N5	2.6038	3.5080	1.1766	4.8770		6.0289	3.2480	3.5222
N6	3.5080	2.6038	4.8770	1.1766	6.0289		3.5222	3.2480
H7	1.0861	2.1246	2.1571	2.6692	3.2480	3.5222		3.0925
H8	2.1246	1.0861	2.6692	2.1571	3.5222	3.2480	3.0925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.420	C1	C2	H8	120.983
C1	C3	N5	179.242	C2	C1	C3	121.420
C2	C1	H7	120.983	C2	C4	N6	179.242
C3	C1	H7	117.597	C4	C2	H8	117.597

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)