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	hartrees
Energy at 0K	-262.843138
Energy at 298.15K	-262.844198
HF Energy	-262.550402
Nuclear repulsion energy	161.472652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3238	3080	0.00
2	A_g	2264	2154	0.00
3	A_g	1674	1592	0.00
4	A_g	1336	1271	0.00
5	A_g	1033	982	0.00
6	A_g	532	506	0.00
7	A_g	251	239	0.00
8	A_u	982	934	54.35
9	A_u	538	512	2.02
10	A_u	126	120	15.81
11	B_g	856	814	0.00
12	B_g	372	353	0.00
13	B_u	3244	3085	7.02
14	B_u	2280	2168	0.29
15	B_u	1306	1242	1.17
16	B_u	1027	977	7.84
17	B_u	528	502	0.99
18	B_u	135	129	18.79

Atom	x (Å)	y (Å)
C1	-0.337	0.584
C2	0.337	-0.584
C3	0.337	1.842
C4	-0.337	-1.842
N5	0.870	2.885
N6	-0.870	-2.885
H7	-1.421	0.606
H8	1.421	-0.606

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3487	1.4279	2.4263	2.5989	3.5098	1.0836	2.1230
C2	1.3487		2.4263	1.4279	3.5098	2.5989	2.1230	1.0836
C3	1.4279	2.4263		3.7460	1.1711	4.8793	2.1492	2.6775
C4	2.4263	1.4279	3.7460		4.8793	1.1711	2.6775	2.1492
N5	2.5989	3.5098	1.1711	4.8793		6.0272	3.2314	3.5345
N6	3.5098	2.5989	4.8793	1.1711	6.0272		3.5345	3.2314
H7	1.0836	2.1230	2.1492	2.6775	3.2314	3.5345		3.0893
H8	2.1230	1.0836	2.6775	2.1492	3.5345	3.2314	3.0893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.787	C1	C2	H8	121.193
C1	C3	N5	178.866	C2	C1	C3	121.787
C2	C1	H7	121.193	C2	C4	N6	178.866
C3	C1	H7	117.019	C4	C2	H8	117.019

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C4H2N2 (Fumaronitrile)

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)