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	hartrees
Energy at 0K	-262.585004
Energy at 298.15K	-262.586087
HF Energy	-261.581664
Nuclear repulsion energy	162.135200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3226	3104	0.00
2	A_g	2331	2243	0.00
3	A_g	1705	1641	0.00
4	A_g	1337	1286	0.00
5	A_g	1026	987	0.00
6	A_g	531	511	0.00
7	A_g	251	242	0.00
8	A_u	991	954	45.42
9	A_u	542	521	2.88
10	A_u	126	121	17.24
11	B_g	864	832	0.00
12	B_g	371	357	0.00
13	B_u	3229	3107	7.90
14	B_u	2338	2250	0.72
15	B_u	1299	1250	0.91
16	B_u	1015	977	6.76
17	B_u	527	507	0.87
18	B_u	135	130	20.64

Atom	x (Å)	y (Å)
C1	-0.339	0.577
C2	0.339	-0.577
C3	0.339	1.843
C4	-0.339	-1.843
N5	0.868	2.872
N6	-0.868	-2.872
H7	-1.420	0.598
H8	1.420	-0.598

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3381	1.4359	2.4198	2.5929	3.4892	1.0809	2.1149
C2	1.3381		2.4198	1.4359	3.4892	2.5929	2.1149	1.0809
C3	1.4359	2.4198		3.7474	1.1571	4.8667	2.1543	2.6696
C4	2.4198	1.4359	3.7474		4.8667	1.1571	2.6696	2.1543
N5	2.5929	3.4892	1.1571	4.8667		6.0004	3.2252	3.5137
N6	3.4892	2.5929	4.8667	1.1571	6.0004		3.5137	3.2252
H7	1.0809	2.1149	2.1543	2.6696	3.2252	3.5137		3.0808
H8	2.1149	1.0809	2.6696	2.1543	3.5137	3.2252	3.0808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.414	C1	C2	H8	121.552
C1	C3	N5	179.041	C2	C1	C3	121.414
C2	C1	H7	121.552	C2	C4	N6	179.041
C3	C1	H7	117.034	C4	C2	H8	117.034

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)