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	hartrees
Energy at 0K	-262.411186
Energy at 298.15K	-262.412260
HF Energy	-261.544758
Nuclear repulsion energy	161.365127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3209	3072	0.00
2	A_g	2322	2223	0.00
3	A_g	1699	1626	0.00
4	A_g	1340	1283	0.00
5	A_g	1026	982	0.00
6	A_g	532	510	0.00
7	A_g	254	243	0.00
8	A_u	974	932	56.90
9	A_u	545	522	2.33
10	A_u	126	121	14.79
11	B_g	851	815	0.00
12	B_g	376	360	0.00
13	B_u	3213	3076	4.37
14	B_u	2329	2230	0.51
15	B_u	1312	1256	1.54
16	B_u	1012	969	7.90
17	B_u	532	510	0.95
18	B_u	136	131	18.03

Atom	x (Å)	y (Å)
C1	-0.341	0.581
C2	0.341	-0.581
C3	0.341	1.851
C4	-0.341	-1.851
N5	0.876	2.883
N6	-0.876	-2.883
H7	-1.428	0.603
H8	1.428	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3462	1.4417	2.4318	2.6042	3.5051	1.0875	2.1280
C2	1.3462		2.4318	1.4417	3.5051	2.6042	2.1280	1.0875
C3	1.4417	2.4318		3.7646	1.1626	4.8884	2.1645	2.6844
C4	2.4318	1.4417	3.7646		4.8884	1.1626	2.6844	2.1645
N5	2.6042	3.5051	1.1626	4.8884		6.0269	3.2412	3.5300
N6	3.5051	2.6042	4.8884	1.1626	6.0269		3.5300	3.2412
H7	1.0875	2.1280	2.1645	2.6844	3.2412	3.5300		3.1000
H8	2.1280	1.0875	2.6844	2.1645	3.5300	3.2412	3.1000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.411	C1	C2	H8	121.581
C1	C3	N5	179.202	C2	C1	C3	121.411
C2	C1	H7	121.581	C2	C4	N6	179.202
C3	C1	H7	117.008	C4	C2	H8	117.008

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)