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	hartrees
Energy at 0K	-262.383041
Energy at 298.15K	-262.384045
HF Energy	-261.511889
Nuclear repulsion energy	160.052712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3235	3135	0.00
2	A_g	2135	2069	0.00
3	A_g	1646	1596	0.00
4	A_g	1313	1273	0.00
5	A_g	1019	988	0.00
6	A_g	521	505	0.00
7	A_g	242	234	0.00
8	A_u	970	940	46.30
9	A_u	531	514	1.78
10	A_u	123	119	15.30
11	B_g	836	810	0.00
12	B_g	361	350	0.00
13	B_u	3240	3141	8.15
14	B_u	2153	2087	13.00
15	B_u	1278	1239	0.54
16	B_u	1020	989	4.06
17	B_u	511	495	1.03
18	B_u	130	126	18.62

Atom	x (Å)	y (Å)
C1	-0.342	0.588
C2	0.342	-0.588
C3	0.342	1.849
C4	-0.342	-1.849
N5	0.892	2.904
N6	-0.892	-2.904
H7	-1.435	0.603
H8	1.435	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3600	1.4357	2.4370	2.6246	3.5344	1.0926	2.1392
C2	1.3600		2.4370	1.4357	3.5344	2.6246	2.1392	1.0926
C3	1.4357	2.4370		3.7618	1.1891	4.9110	2.1705	2.6850
C4	2.4370	1.4357	3.7618		4.9110	1.1891	2.6850	2.1705
N5	2.6246	3.5344	1.1891	4.9110		6.0755	3.2721	3.5488
N6	3.5344	2.6246	4.9110	1.1891	6.0755		3.5488	3.2721
H7	1.0926	2.1392	2.1705	2.6850	3.2721	3.5488		3.1129
H8	2.1392	1.0926	2.6850	2.1705	3.5488	3.2721	3.1129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.293	C1	C2	H8	121.048
C1	C3	N5	179.056	C2	C1	C3	121.293
C2	C1	H7	121.048	C2	C4	N6	179.056
C3	C1	H7	117.659	C4	C2	H8	117.659

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)