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	hartrees
Energy at 0K	-264.402496
Energy at 298.15K	-264.406386
HF Energy	-264.402496
Nuclear repulsion energy	179.410143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3054	2955	0.00
2	A_g	2360	2283	0.00
3	A_g	1473	1425	0.00
4	A_g	1382	1337	0.00
5	A_g	1016	982	0.00
6	A_g	968	936	0.00
7	A_g	516	499	0.00
8	A_g	223	216	0.00
9	A_u	3105	3004	0.21
10	A_u	1216	1176	0.00
11	A_u	772	747	2.96
12	A_u	399	386	0.39
13	A_u	76	74	23.23
14	B_g	3086	2986	0.00
15	B_g	1319	1276	0.00
16	B_g	1040	1006	0.00
17	B_g	363	351	0.00
18	B_u	3064	2964	1.69
19	B_u	2361	2284	13.08
20	B_u	1482	1433	15.21
21	B_u	1298	1256	2.89
22	B_u	932	902	4.01
23	B_u	531	513	0.71
24	B_u	131	127	24.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.646	0.000
C2	-0.423	-0.646	0.000
C3	-0.423	1.834	0.000
C4	0.423	-1.834	0.000
N5	1.113	-2.754	0.000
N6	-1.113	2.754	0.000
H7	1.069	0.673	0.878
H8	1.069	0.673	-0.878
H9	-1.069	-0.673	0.878
H10	-1.069	-0.673	-0.878

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5455	1.4585	2.4805	3.4698	2.6081	1.0903	1.0903	2.1773	2.1773
C2	1.5455		2.4805	1.4585	2.6081	3.4698	2.1773	2.1773	1.0903	1.0903
C3	1.4585	2.4805		3.7645	4.8385	1.1499	2.0847	2.0847	2.7340	2.7340
C4	2.4805	1.4585	3.7645		1.1499	4.8385	2.7340	2.7340	2.0847	2.0847
N5	3.4698	2.6081	4.8385	1.1499		5.9409	3.5383	3.5383	3.1405	3.1405
N6	2.6081	3.4698	1.1499	4.8385	5.9409		3.1405	3.1405	3.5383	3.5383
H7	1.0903	2.1773	2.0847	2.7340	3.5383	3.1405		1.7561	2.5271	3.0774
H8	1.0903	2.1773	2.0847	2.7340	3.5383	3.1405	1.7561		3.0774	2.5271
H9	2.1773	1.0903	2.7340	2.0847	3.1405	3.5383	2.5271	3.0774		1.7561
H10	2.1773	1.0903	2.7340	2.0847	3.1405	3.5383	3.0774	2.5271	1.7561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.292	C1	C2	H9	110.188
C1	C2	H10	110.188	C1	C3	N6	178.631
C2	C1	C3	111.292	C2	C1	H7	110.188
C2	C1	H8	110.188	C2	C4	N5	178.631
C3	C1	H7	108.896	C3	C1	H8	108.896
C4	C2	H9	108.896	C4	C2	H10	108.896
H7	C1	H8	107.279	H9	C2	H10	107.279

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/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 C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)