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	hartrees
Energy at 0K	-261.570123
Energy at 298.15K	-261.571145
HF Energy	-261.570123
Nuclear repulsion energy	162.140205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3119	3072	0.00
2	A_g	2283	2248	0.00
3	A_g	1649	1625	0.00
4	A_g	1263	1244	0.00
5	A_g	1021	1005	0.00
6	A_g	531	523	0.00
7	A_g	245	242	0.00
8	A_u	926	912	58.07
9	A_u	554	546	2.85
10	A_u	122	120	15.71
11	B_g	837	824	0.00
12	B_g	376	371	0.00
13	B_u	3125	3078	12.12
14	B_u	2304	2269	3.84
15	B_u	1233	1214	3.65
16	B_u	1049	1033	7.36
17	B_u	523	515	0.54
18	B_u	130	128	18.40

Atom	x (Å)	y (Å)
C1	-0.333	0.587
C2	0.333	-0.587
C3	0.333	1.828
C4	-0.333	-1.828
N5	0.863	2.872
N6	-0.863	-2.872
H7	-1.431	0.608
H8	1.431	-0.608

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3507	1.4082	2.4149	2.5787	3.4993	1.0975	2.1309
C2	1.3507		2.4149	1.4082	3.4993	2.5787	2.1309	1.0975
C3	1.4082	2.4149		3.7155	1.1707	4.8491	2.1447	2.6713
C4	2.4149	1.4082	3.7155		4.8491	1.1707	2.6713	2.1447
N5	2.5787	3.4993	1.1707	4.8491		5.9971	3.2227	3.5256
N6	3.4993	2.5787	4.8491	1.1707	5.9971		3.5256	3.2227
H7	1.0975	2.1309	2.1447	2.6713	3.2227	3.5256		3.1091
H8	2.1309	1.0975	2.6713	2.1447	3.5256	3.2227	3.1091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.148	C1	C2	H8	120.663
C1	C3	N5	178.625	C2	C1	C3	122.148
C2	C1	H7	120.663	C2	C4	N6	178.625
C3	C1	H7	117.190	C4	C2	H8	117.190

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: LSDA/6-31+G**

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	0.378
2	C	0.378
3	C	-0.160
4	C	-0.160
5	N	-0.448
6	N	-0.448
7	H	0.230
8	H	0.230

	x	y	z
x	6.624	2.632	0.000
y	2.632	16.268	0.000
z	0.000	0.000	4.482

<r²>	202.860
(<r²>)^1/2	14.243

All results from a given calculation for C4H2N2 (Fumaronitrile)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)