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	hartrees
Energy at 0K	-42.825364
Energy at 298.15K	-42.826264
HF Energy	-42.268089
Nuclear repulsion energy	76.137462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3208	3100	0.00
2	A_g	1997	1930	0.00
3	A_g	1612	1557	0.00
4	A_g	1339	1294	0.00
5	A_g	1002	968	0.00
6	A_g	501	484	0.00
7	A_g	234	226	0.00
8	A_u	999	965	69.84
9	A_u	516	498	0.04
10	A_u	123	119	12.52
11	B_g	874	844	0.00
12	B_g	343	331	0.00
13	B_u	3205	3097	5.77
14	B_u	2011	1943	29.36
15	B_u	1310	1266	0.17
16	B_u	976	943	4.43
17	B_u	491	474	4.60
18	B_u	127	123	15.39

Atom	x (Å)	y (Å)
C1	-0.352	0.602
C2	0.352	-0.602
C3	0.352	1.897
C4	-0.352	-1.897
N5	0.926	2.986
N6	-0.926	-2.986
H7	-1.452	0.619
H8	1.452	-0.619

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3953	1.4739	2.4988	2.7046	3.6334	1.0993	2.1782
C2	1.3953		2.4988	1.4739	3.6334	2.7046	2.1782	1.0993
C3	1.4739	2.4988		3.8583	1.2308	5.0469	2.2106	2.7452
C4	2.4988	1.4739	3.8583		5.0469	1.2308	2.7452	2.2106
N5	2.7046	3.6334	1.2308	5.0469		6.2519	3.3548	3.6426
N6	3.6334	2.7046	5.0469	1.2308	6.2519		3.6426	3.3548
H7	1.0993	2.1782	2.2106	2.7452	3.3548	3.6426		3.1558
H8	2.1782	1.0993	2.7452	2.2106	3.6426	3.3548	3.1558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.107	C1	C2	H8	121.200
C1	C3	N5	179.220	C2	C1	C3	121.107
C2	C1	H7	121.200	C2	C4	N6	179.220
C3	C1	H7	117.693	C4	C2	H8	117.693

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)