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	hartrees
Energy at 0K	-263.029379
Energy at 298.15K	-263.030554
HF Energy	-263.029379
Nuclear repulsion energy	162.811368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3211	3211	0.00
2	A_g	2401	2401	0.00
3	A_g	1716	1716	0.00
4	A_g	1336	1336	0.00
5	A_g	1033	1033	0.00
6	A_g	548	548	0.00
7	A_g	262	262	0.00
8	A_u	995	995	60.53
9	A_u	572	572	3.05
10	A_u	127	127	15.01
11	B_g	882	882	0.00
12	B_g	395	395	0.00
13	B_u	3215	3215	8.84
14	B_u	2412	2412	3.74
15	B_u	1299	1299	2.52
16	B_u	1027	1027	9.76
17	B_u	556	556	0.80
18	B_u	142	142	18.39

Atom	x (Å)	y (Å)
C1	-0.338	0.576
C2	0.338	-0.576
C3	0.338	1.836
C4	-0.338	-1.836
N5	0.869	2.856
N6	-0.869	-2.856
H7	-1.421	0.598
H8	1.421	-0.598

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3354	1.4301	2.4124	2.5795	3.4728	1.0839	2.1149
C2	1.3354		2.4124	1.4301	3.4728	2.5795	2.1149	1.0839
C3	1.4301	2.4124		3.7345	1.1495	4.8451	2.1515	2.6646
C4	2.4124	1.4301	3.7345		4.8451	1.1495	2.6646	2.1515
N5	2.5795	3.4728	1.1495	4.8451		5.9704	3.2161	3.4979
N6	3.4728	2.5795	4.8451	1.1495	5.9704		3.4979	3.2161
H7	1.0839	2.1149	2.1515	2.6646	3.2161	3.4979		3.0841
H8	2.1149	1.0839	2.6646	2.1515	3.4979	3.2161	3.0841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.421	C1	C2	H8	121.546
C1	C3	N5	179.308	C2	C1	C3	121.421
C2	C1	H7	121.546	C2	C4	N6	179.308
C3	C1	H7	117.033	C4	C2	H8	117.033

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: M06-2X/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	-0.168
2	C	-0.168
3	C	0.111
4	C	0.111
5	N	-0.242
6	N	-0.242
7	H	0.299
8	H	0.299

	x	y	z
x	5.706	1.847	0.000
y	1.847	13.229	0.000
z	0.000	0.000	3.491

<r²>	201.669
(<r²>)^1/2	14.201

All results from a given calculation for C4H2N2 (Fumaronitrile)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)