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	hartrees
Energy at 0K	-262.531321
Energy at 298.15K	-262.532416
HF Energy	-261.573455
Nuclear repulsion energy	162.777711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3267	3050	0.00
2	A_g	2441	2279	0.00
3	A_g	1721	1607	0.00
4	A_g	1360	1270	0.00
5	A_g	1047	978	0.00
6	A_g	546	510	0.00
7	A_g	256	239	0.00
8	A_u	986	920	52.07
9	A_u	526	491	2.04
10	A_u	124	115	15.92
11	B_g	857	800	0.00
12	B_g	367	342	0.00
13	B_u	3272	3055	6.52
14	B_u	2450	2287	0.31
15	B_u	1328	1240	0.49
16	B_u	1035	966	9.49
17	B_u	542	507	1.18
18	B_u	137	128	18.73

Atom	x (Å)	y (Å)
C1	-0.339	0.576
C2	0.339	-0.576
C3	0.339	1.837
C4	-0.339	-1.837
N5	0.872	2.856
N6	-0.872	-2.856
H7	-1.419	0.599
H8	1.419	-0.599

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3365	1.4322	2.4131	2.5813	3.4725	1.0797	2.1139
C2	1.3365		2.4131	1.4322	3.4725	2.5813	2.1139	1.0797
C3	1.4322	2.4131		3.7366	1.1491	4.8465	2.1503	2.6643
C4	2.4131	1.4322	3.7366		4.8465	1.1491	2.6643	2.1503
N5	2.5813	3.4725	1.1491	4.8465		5.9713	3.2154	3.4971
N6	3.4725	2.5813	4.8465	1.1491	5.9713		3.4971	3.2154
H7	1.0797	2.1139	2.1503	2.6643	3.2154	3.4971		3.0793
H8	2.1139	1.0797	2.6643	2.1503	3.4971	3.2154	3.0793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.245	C1	C2	H8	121.700
C1	C3	N5	179.349	C2	C1	C3	121.245
C2	C1	H7	121.700	C2	C4	N6	179.349
C3	C1	H7	117.056	C4	C2	H8	117.056

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP3=FULL/TZVP

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=FULL/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)