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	hartrees
Energy at 0K	-261.555045
Energy at 298.15K	-261.556480
HF Energy	-261.555045
Nuclear repulsion energy	163.846187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3362	3054	0.00
2	A_g	2597	2359	0.00
3	A_g	1843	1675	0.00
4	A_g	1430	1299	0.00
5	A_g	1092	992	0.00
6	A_g	581	528	0.00
7	A_g	287	261	0.00
8	A_u	1088	989	62.97
9	A_u	622	565	3.75
10	A_u	142	129	18.99
11	B_g	975	886	0.00
12	B_g	433	394	0.00
13	B_u	3364	3056	7.79
14	B_u	2603	2365	22.77
15	B_u	1393	1266	1.88
16	B_u	1062	965	15.83
17	B_u	598	543	1.23
18	B_u	151	137	22.83

Atom	x (Å)	y (Å)
C1	-0.336	0.569
C2	0.336	-0.569
C3	0.336	1.840
C4	-0.336	-1.840
N5	0.849	2.846
N6	-0.849	-2.846
H7	-1.410	0.595
H8	1.410	-0.595

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3213	1.4379	2.4082	2.5673	3.4527	1.0738	2.0983
C2	1.3213		2.4082	1.4379	3.4527	2.5673	2.0983	1.0738
C3	1.4379	2.4082		3.7401	1.1295	4.8330	2.1442	2.6608
C4	2.4082	1.4379	3.7401		4.8330	1.1295	2.6608	2.1442
N5	2.5673	3.4527	1.1295	4.8330		5.9396	3.1889	3.4862
N6	3.4527	2.5673	4.8330	1.1295	5.9396		3.4862	3.1889
H7	1.0738	2.0983	2.1442	2.6608	3.1889	3.4862		3.0604
H8	2.0983	1.0738	2.6608	2.1442	3.4862	3.1889	3.0604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.507	C1	C2	H8	122.013
C1	C3	N5	179.121	C2	C1	C3	121.507
C2	C1	H7	122.013	C2	C4	N6	179.121
C3	C1	H7	116.480	C4	C2	H8	116.480

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.006
2	C	-0.006
3	C	0.132
4	C	0.132
5	N	-0.303
6	N	-0.303
7	H	0.177
8	H	0.177

	x	y	z
x	5.479	1.401	0.000
y	1.401	12.665	0.000
z	0.000	0.000	3.480

<r²>	200.880
(<r²>)^1/2	14.173

All results from a given calculation for C4H2N2 (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)