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	hartrees
Energy at 0K	-264.316406
Energy at 298.15K	-264.320319
Nuclear repulsion energy	178.880627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3059	2952	0.00
2	A_g	2368	2285	0.00
3	A_g	1467	1416	0.00
4	A_g	1377	1329	0.00
5	A_g	1021	985	0.00
6	A_g	968	934	0.00
7	A_g	519	501	0.00
8	A_g	227	219	0.00
9	A_u	3115	3006	0.80
10	A_u	1207	1165	0.06
11	A_u	770	743	3.29
12	A_u	413	399	0.50
13	A_u	78	75	20.90
14	B_g	3096	2987	0.00
15	B_g	1311	1266	0.00
16	B_g	1038	1002	0.00
17	B_g	376	363	0.00
18	B_u	3069	2961	2.97
19	B_u	2369	2286	8.66
20	B_u	1477	1425	12.16
21	B_u	1291	1246	3.50
22	B_u	936	903	3.89
23	B_u	534	516	0.63
24	B_u	133	128	22.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.775	0.000
C2	0.000	-0.775	0.000
C3	-1.360	1.306	0.000
C4	1.360	-1.306	0.000
N5	2.443	-1.709	0.000
N6	-2.443	1.709	0.000
H7	0.532	1.149	0.880
H8	0.532	1.149	-0.880
H9	-0.532	-1.149	0.880
H10	-0.532	-1.149	-0.880

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5494	1.4603	2.4861	3.4838	2.6154	1.0944	1.0944	2.1815	2.1815
C2	1.5494		2.4861	1.4603	2.6154	3.4838	2.1815	2.1815	1.0944	1.0944
C3	1.4603	2.4861		3.7717	4.8533	1.1551	2.0927	2.0927	2.7368	2.7368
C4	2.4861	1.4603	3.7717		1.1551	4.8533	2.7368	2.7368	2.0927	2.0927
N5	3.4838	2.6154	4.8533	1.1551		5.9626	3.5491	3.5491	3.1523	3.1523
N6	2.6154	3.4838	1.1551	4.8533	5.9626		3.1523	3.1523	3.5491	3.5491
H7	1.0944	2.1815	2.0927	2.7368	3.5491	3.1523		1.7599	2.5329	3.0843
H8	1.0944	2.1815	2.0927	2.7368	3.5491	3.1523	1.7599		3.0843	2.5329
H9	2.1815	1.0944	2.7368	2.0927	3.1523	3.5491	2.5329	3.0843		1.7599
H10	2.1815	1.0944	2.7368	2.0927	3.1523	3.5491	3.0843	2.5329	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.346	C1	C2	H9	110.015
C1	C2	H10	110.015	C1	C3	N6	179.068
C2	C1	C3	111.346	C2	C1	H7	110.015
C2	C1	H8	110.015	C2	C4	N5	179.068
C3	C1	H7	109.160	C3	C1	H8	109.160
C4	C2	H9	109.160	C4	C2	H10	109.160
H7	C1	H8	107.042	H9	C2	H10	107.042

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/6-31G(2df,p)

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
1	C	-0.332
2	C	-0.332
3	C	0.260
4	C	0.260
5	N	-0.287
6	N	-0.287
7	H	0.179
8	H	0.179
9	H	0.179
10	H	0.179

	x	y	z
x	9.524	-2.215	0.000
y	-2.215	6.641	0.000
z	0.000	0.000	5.039

<r²>	209.675
(<r²>)^1/2	14.480

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)