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	hartrees
Energy at 0K	-264.318618
Energy at 298.15K	-264.322480
Nuclear repulsion energy	178.317371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3066	2956	0.00
2	A_g	2361	2276	0.00
3	A_g	1477	1424	0.00
4	A_g	1386	1337	0.00
5	A_g	1022	985	0.00
6	A_g	968	933	0.00
7	A_g	510	492	0.00
8	A_g	222	214	0.00
9	A_u	3124	3012	0.38
10	A_u	1212	1169	0.00
11	A_u	773	745	2.79
12	A_u	401	386	0.03
13	A_u	80	77	22.91
14	B_g	3106	2995	0.00
15	B_g	1316	1269	0.00
16	B_g	1038	1000	0.00
17	B_g	362	349	0.00
18	B_u	3075	2965	2.69
19	B_u	2362	2278	13.18
20	B_u	1483	1430	15.50
21	B_u	1296	1250	2.46
22	B_u	932	898	5.46
23	B_u	524	505	1.98
24	B_u	131	126	23.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.775	0.000
C2	0.000	-0.775	0.000
C3	-1.365	1.309	0.000
C4	1.365	-1.309	0.000
N5	2.452	-1.717	0.000
N6	-2.452	1.717	0.000
H7	0.527	1.153	0.882
H8	0.527	1.153	-0.882
H9	-0.527	-1.153	0.882
H10	-0.527	-1.153	-0.882

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5499	1.4656	2.4909	3.4959	2.6265	1.0950	1.0950	2.1848	2.1848
C2	1.5499		2.4909	1.4656	2.6265	3.4959	2.1848	2.1848	1.0950	1.0950
C3	1.4656	2.4909		3.7819	4.8705	1.1609	2.0937	2.0937	2.7457	2.7457
C4	2.4909	1.4656	3.7819		1.1609	4.8705	2.7457	2.7457	2.0937	2.0937
N5	3.4959	2.6265	4.8705	1.1609		5.9864	3.5662	3.5662	3.1578	3.1578
N6	2.6265	3.4959	1.1609	4.8705	5.9864		3.1578	3.1578	3.5662	3.5662
H7	1.0950	2.1848	2.0937	2.7457	3.5662	3.1578		1.7638	2.5360	3.0890
H8	1.0950	2.1848	2.0937	2.7457	3.5662	3.1578	1.7638		3.0890	2.5360
H9	2.1848	1.0950	2.7457	2.0937	3.1578	3.5662	2.5360	3.0890		1.7638
H10	2.1848	1.0950	2.7457	2.0937	3.1578	3.5662	3.0890	2.5360	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.353	C1	C2	H9	110.201
C1	C2	H10	110.201	C1	C3	N6	179.245
C2	C1	C3	111.353	C2	C1	H7	110.201
C2	C1	H8	110.201	C2	C4	N5	179.245
C3	C1	H7	108.841	C3	C1	H8	108.841
C4	C2	H9	108.841	C4	C2	H10	108.841
H7	C1	H8	107.299	H9	C2	H10	107.299

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/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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Number	Element	Mulliken	ESP
1	C	-0.099	-0.089
2	C	-0.099	-0.070
3	C	0.175	0.325
4	C	0.175	0.320
5	N	-0.495	-0.446
6	N	-0.495	-0.447
7	H	0.209	0.104
8	H	0.209	0.104
9	H	0.209	0.100
10	H	0.209	0.100

	x	y	z
x	10.592	-2.438	0.000
y	-2.438	7.234	0.000
z	0.000	0.000	5.537

<r²>	211.950
(<r²>)^1/2	14.558

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)