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	hartrees
Energy at 0K	-262.243355
Energy at 298.15K	-262.244640
HF Energy	-261.550155
Nuclear repulsion energy	163.076370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3322	3087	0.00
2	A_g	2484	2308	0.00
3	A_g	1791	1664	0.00
4	A_g	1393	1294	0.00
5	A_g	1069	994	0.00
6	A_g	563	523	0.00
7	A_g	272	253	0.00
8	A_u	1037	963	61.46
9	A_u	591	549	3.32
10	A_u	135	125	16.76
11	B_g	921	856	0.00
12	B_g	409	380	0.00
13	B_u	3325	3089	6.53
14	B_u	2490	2313	3.66
15	B_u	1360	1263	1.93
16	B_u	1053	978	11.37
17	B_u	572	531	0.86
18	B_u	144	134	20.47

Atom	x (Å)	y (Å)
C1	-0.337	0.573
C2	0.337	-0.573
C3	0.337	1.838
C4	-0.337	-1.838
N5	0.861	2.855
N6	-0.861	-2.855
H7	-1.416	0.597
H8	1.416	-0.597

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3299	1.4342	2.4114	2.5779	3.4679	1.0784	2.1074
C2	1.3299		2.4114	1.4342	3.4679	2.5779	2.1074	1.0784
C3	1.4342	2.4114		3.7383	1.1438	4.8443	2.1483	2.6631
C4	2.4114	1.4342	3.7383		4.8443	1.1438	2.6631	2.1483
N5	2.5779	3.4679	1.1438	4.8443		5.9646	3.2072	3.4960
N6	3.4679	2.5779	4.8443	1.1438	5.9646		3.4960	3.2072
H7	1.0784	2.1074	2.1483	2.6631	3.2072	3.4960		3.0725
H8	2.1074	1.0784	2.6631	2.1483	3.4960	3.2072	3.0725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.433	C1	C2	H8	121.756
C1	C3	N5	179.196	C2	C1	C3	121.433
C2	C1	H7	121.756	C2	C4	N6	179.196
C3	C1	H7	116.811	C4	C2	H8	116.811

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)