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	hartrees
Energy at 0K	-262.344118
Energy at 298.15K	-262.345205
HF Energy	-261.512330
Nuclear repulsion energy	160.998597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3267	3072	0.00
2	A_g	2418	2273	0.00
3	A_g	1721	1618	0.00
4	A_g	1328	1249	0.00
5	A_g	1035	973	0.00
6	A_g	537	505	0.00
7	A_g	253	238	0.00
8	A_u	989	930	47.12
9	A_u	543	511	2.15
10	A_u	126	119	14.25
11	B_g	850	799	0.00
12	B_g	375	353	0.00
13	B_u	3270	3075	6.99
14	B_u	2425	2281	0.09
15	B_u	1290	1213	0.60
16	B_u	1034	973	10.05
17	B_u	528	497	1.11
18	B_u	135	127	17.01

Atom	x (Å)	y (Å)
C1	-0.342	0.583
C2	0.342	-0.583
C3	0.342	1.856
C4	-0.342	-1.856
N5	0.877	2.889
N6	-0.877	-2.889
H7	-1.434	0.604
H8	1.434	-0.604

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3509	1.4451	2.4384	2.6090	3.5130	1.0922	2.1358
C2	1.3509		2.4384	1.4451	3.5130	2.6090	2.1358	1.0922
C3	1.4451	2.4384		3.7741	1.1640	4.8992	2.1722	2.6917
C4	2.4384	1.4451	3.7741		4.8992	1.1640	2.6917	2.1722
N5	2.6090	3.5130	1.1640	4.8992		6.0391	3.2499	3.5378
N6	3.5130	2.6090	4.8992	1.1640	6.0391		3.5378	3.2499
H7	1.0922	2.1358	2.1722	2.6917	3.2499	3.5378		3.1120
H8	2.1358	1.0922	2.6917	2.1722	3.5378	3.2499	3.1120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.375	C1	C2	H8	121.541
C1	C3	N5	179.166	C2	C1	C3	121.375
C2	C1	H7	121.541	C2	C4	N6	179.166
C3	C1	H7	117.084	C4	C2	H8	117.084

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)