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	hartrees
Energy at 0K	-262.852828
Energy at 298.15K	-262.857015
Nuclear repulsion energy	178.342043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3074	2957	0.00
2	A_g	2355	2266	0.00
3	A_g	1532	1474	0.00
4	A_g	1401	1347	0.00
5	A_g	1006	968	0.00
6	A_g	984	947	0.00
7	A_g	543	522	0.00
8	A_g	259	249	0.00
9	A_u	3129	3010	0.41
10	A_u	1285	1236	0.02
11	A_u	798	768	4.03
12	A_u	479	461	0.77
13	A_u	84	81	17.46
14	B_g	3108	2990	0.00
15	B_g	1366	1314	0.00
16	B_g	1076	1035	0.00
17	B_g	441	424	0.00
18	B_u	3083	2966	2.61
19	B_u	2358	2268	1.98
20	B_u	1533	1475	22.26
21	B_u	1346	1295	3.10
22	B_u	938	902	5.83
23	B_u	587	565	4.70
24	B_u	148	142	16.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.782	0.000
C2	0.000	-0.782	0.000
C3	-1.362	1.302	0.000
C4	1.362	-1.302	0.000
N5	2.450	-1.713	0.000
N6	-2.450	1.713	0.000
H7	0.531	1.146	0.886
H8	0.531	1.146	-0.886
H9	-0.531	-1.146	0.886
H10	-0.531	-1.146	-0.886

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5631	1.4581	2.4892	3.4971	2.6217	1.0957	1.0957	2.1874	2.1874
C2	1.5631		2.4892	1.4581	2.6217	3.4971	2.1874	2.1874	1.0957	1.0957
C3	1.4581	2.4892		3.7684	4.8608	1.1636	2.0963	2.0963	2.7330	2.7330
C4	2.4892	1.4581	3.7684		1.1636	4.8608	2.7330	2.7330	2.0963	2.0963
N5	3.4971	2.6217	4.8608	1.1636		5.9802	3.5563	3.5563	3.1619	3.1619
N6	2.6217	3.4971	1.1636	4.8608	5.9802		3.1619	3.1619	3.5563	3.5563
H7	1.0957	2.1874	2.0963	2.7330	3.5563	3.1619		1.7721	2.5272	3.0866
H8	1.0957	2.1874	2.0963	2.7330	3.5563	3.1619	1.7721		3.0866	2.5272
H9	2.1874	1.0957	2.7330	2.0963	3.1619	3.5563	2.5272	3.0866		1.7721
H10	2.1874	1.0957	2.7330	2.0963	3.1619	3.5563	3.0866	2.5272	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.907	C1	C2	H9	109.453
C1	C2	H10	109.453	C1	C3	N6	179.807
C2	C1	C3	110.907	C2	C1	H7	109.453
C2	C1	H8	109.453	C2	C4	N5	179.807
C3	C1	H7	109.522	C3	C1	H8	109.522
C4	C2	H9	109.522	C4	C2	H10	109.522
H7	C1	H8	107.930	H9	C2	H10	107.930

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/3-21G*

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	-0.429
2	C	-0.429
3	C	0.348
4	C	0.348
5	N	-0.465
6	N	-0.465
7	H	0.273
8	H	0.273
9	H	0.273
10	H	0.273

	x	y	z
x	8.558	-2.126	0.000
y	-2.126	5.576	0.000
z	0.000	0.000	4.159

<r²>	210.458
(<r²>)^1/2	14.507

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)