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	hartrees
Energy at 0K	-262.306679
Energy at 298.15K	-262.307738
HF Energy	-261.491890
Nuclear repulsion energy	161.758320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3267	3067	0.00
2	A_g	2437	2287	0.00
3	A_g	1735	1629	0.00
4	A_g	1363	1279	0.00
5	A_g	1054	989	0.00
6	A_g	542	509	0.00
7	A_g	253	238	0.00
8	A_u	991	930	54.42
9	A_u	533	500	3.74
10	A_u	126	118	16.74
11	B_g	857	804	0.00
12	B_g	367	344	0.00
13	B_u	3270	3069	5.84
14	B_u	2444	2294	0.46
15	B_u	1332	1250	1.13
16	B_u	1043	979	9.43
17	B_u	534	501	0.85
18	B_u	136	128	19.37

Atom	x (Å)	y (Å)
C1	-0.341	0.579
C2	0.341	-0.579
C3	0.341	1.845
C4	-0.341	-1.845
N5	0.877	2.874
N6	-0.877	-2.874
H7	-1.426	0.601
H8	1.426	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3431	1.4380	2.4231	2.5987	3.4940	1.0852	2.1245
C2	1.3431		2.4231	1.4380	3.4940	2.5987	2.1245	1.0852
C3	1.4380	2.4231		3.7516	1.1608	4.8733	2.1607	2.6754
C4	2.4231	1.4380	3.7516		4.8733	1.1608	2.6754	2.1607
N5	2.5987	3.4940	1.1608	4.8733		6.0098	3.2360	3.5181
N6	3.4940	2.5987	4.8733	1.1608	6.0098		3.5181	3.2360
H7	1.0852	2.1245	2.1607	2.6754	3.2360	3.5181		3.0949
H8	2.1245	1.0852	2.6754	2.1607	3.5181	3.2360	3.0949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.173	C1	C2	H8	121.698
C1	C3	N5	179.196	C2	C1	C3	121.173
C2	C1	H7	121.698	C2	C4	N6	179.196
C3	C1	H7	117.129	C4	C2	H8	117.129

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)