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	hartrees
Energy at 0K	-262.170158
Energy at 298.15K	-262.171387
HF Energy	-261.494385
Nuclear repulsion energy	162.639812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3341	3093	0.00
2	A_g	2492	2307	0.00
3	A_g	1805	1671	0.00
4	A_g	1402	1298	0.00
5	A_g	1079	999	0.00
6	A_g	561	519	0.00
7	A_g	267	248	0.00
8	A_u	1046	968	56.76
9	A_u	576	534	4.51
10	A_u	133	123	18.16
11	B_g	922	854	0.00
12	B_g	397	367	0.00
13	B_u	3343	3095	6.63
14	B_u	2496	2311	4.85
15	B_u	1366	1265	1.63
16	B_u	1061	982	10.72
17	B_u	562	521	0.84
18	B_u	142	132	20.95

Atom	x (Å)	y (Å)
C1	-0.338	0.573
C2	0.338	-0.573
C3	0.338	1.839
C4	-0.338	-1.839
N5	0.867	2.862
N6	-0.867	-2.862
H7	-1.417	0.597
H8	1.417	-0.597

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3309	1.4352	2.4120	2.5868	3.4755	1.0791	2.1096
C2	1.3309		2.4120	1.4352	3.4755	2.5868	2.1096	1.0791
C3	1.4352	2.4120		3.7395	1.1516	4.8529	2.1502	2.6642
C4	2.4120	1.4352	3.7395		4.8529	1.1516	2.6642	2.1502
N5	2.5868	3.4755	1.1516	4.8529		5.9808	3.2167	3.5025
N6	3.4755	2.5868	4.8529	1.1516	5.9808		3.5025	3.2167
H7	1.0791	2.1096	2.1502	2.6642	3.2167	3.5025		3.0754
H8	2.1096	1.0791	2.6642	2.1502	3.5025	3.2167	3.0754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.332	C1	C2	H8	121.820
C1	C3	N5	179.213	C2	C1	C3	121.332
C2	C1	H7	121.820	C2	C4	N6	179.213
C3	C1	H7	116.847	C4	C2	H8	116.847

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)