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	hartrees
Energy at 0K	-258.613319
Energy at 298.15K	-258.613992
HF Energy	-258.144115
Nuclear repulsion energy	156.078244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3511	3062	0.00
2	A_g	2084	1817	0.00
3	A_g	1732	1510	0.00
4	A_g	1399	1220	0.00
5	A_g	1032	900	0.00
6	A_g	523	456	0.00
7	A_g	242	211	0.00
8	A_u	1066	929	18.61
9	A_u	536	468	1.51
10	A_u	123	107	8.74
11	B_g	863	752	0.00
12	B_g	351	306	0.00
13	B_u	3505	3056	24.57
14	B_u	2086	1819	103.88
15	B_u	1365	1190	2.05
16	B_u	992	865	0.57
17	B_u	514	448	0.10
18	B_u	130	113	9.56

Atom	x (Å)	y (Å)
C1	-0.344	0.589
C2	0.344	-0.589
C3	0.344	1.897
C4	-0.344	-1.897
N5	0.916	2.987
N6	-0.916	-2.987
H7	-1.448	0.604
H8	1.448	-0.604

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3649	1.4777	2.4869	2.7085	3.6219	1.1042	2.1528
C2	1.3649		2.4869	1.4777	3.6219	2.7085	2.1528	1.1042
C3	1.4777	2.4869		3.8567	1.2307	5.0443	2.2097	2.7343
C4	2.4869	1.4777	3.8567		5.0443	1.2307	2.7343	2.2097
N5	2.7085	3.6219	1.2307	5.0443		6.2486	3.3568	3.6300
N6	3.6219	2.7085	5.0443	1.2307	6.2486		3.6300	3.3568
H7	1.1042	2.1528	2.2097	2.7343	3.3568	3.6300		3.1377
H8	2.1528	1.1042	2.7343	2.2097	3.6300	3.3568	3.1377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.015	C1	C2	H8	121.009
C1	C3	N5	179.998	C2	C1	C3	122.015
C2	C1	H7	121.009	C2	C4	N6	179.998
C3	C1	H7	116.975	C4	C2	H8	116.975

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)