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	hartrees
Energy at 0K	-264.218969
Energy at 298.15K	-264.222853
Nuclear repulsion energy	177.700476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3065	2948	0.00
2	A_g	2321	2233	0.00
3	A_g	1521	1464	0.00
4	A_g	1406	1353	0.00
5	A_g	1028	989	0.00
6	A_g	978	940	0.00
7	A_g	511	491	0.00
8	A_g	224	216	0.00
9	A_u	3124	3005	2.64
10	A_u	1246	1199	0.01
11	A_u	799	769	3.78
12	A_u	399	384	0.19
13	A_u	77	75	20.52
14	B_g	3103	2985	0.00
15	B_g	1340	1289	0.00
16	B_g	1075	1034	0.00
17	B_g	358	344	0.00
18	B_u	3074	2958	5.61
19	B_u	2324	2235	8.36
20	B_u	1526	1468	20.92
21	B_u	1342	1291	0.92
22	B_u	945	909	7.18
23	B_u	522	502	4.30
24	B_u	133	128	19.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.779	0.000
C2	0.000	-0.779	0.000
C3	-1.360	1.317	0.000
C4	1.360	-1.317	0.000
N5	2.455	-1.733	0.000
N6	-2.455	1.733	0.000
H7	0.537	1.149	0.881
H8	0.537	1.149	-0.881
H9	-0.537	-1.149	0.881
H10	-0.537	-1.149	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5572	1.4626	2.4979	3.5122	2.6342	1.0964	1.0964	2.1865	2.1865
C2	1.5572		2.4979	1.4626	2.6342	3.5122	2.1865	2.1865	1.0964	1.0964
C3	1.4626	2.4979		3.7859	4.8843	1.1717	2.0987	2.0987	2.7445	2.7445
C4	2.4979	1.4626	3.7859		1.1717	4.8843	2.7445	2.7445	2.0987	2.0987
N5	3.5122	2.6342	4.8843	1.1717		6.0104	3.5720	3.5720	3.1739	3.1739
N6	2.6342	3.5122	1.1717	4.8843	6.0104		3.1739	3.1739	3.5720	3.5720
H7	1.0964	2.1865	2.0987	2.7445	3.5720	3.1739		1.7617	2.5372	3.0888
H8	1.0964	2.1865	2.0987	2.7445	3.5720	3.1739	1.7617		3.0888	2.5372
H9	2.1865	1.0964	2.7445	2.0987	3.1739	3.5720	2.5372	3.0888		1.7617
H10	2.1865	1.0964	2.7445	2.0987	3.1739	3.5720	3.0888	2.5372	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.581	C1	C2	H9	109.753
C1	C2	H10	109.753	C1	C3	N6	179.221
C2	C1	C3	111.581	C2	C1	H7	109.753
C2	C1	H8	109.753	C2	C4	N5	179.221
C3	C1	H7	109.362	C3	C1	H8	109.362
C4	C2	H9	109.362	C4	C2	H10	109.362
H7	C1	H8	106.916	H9	C2	H10	106.916

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/6-31G

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	-0.300
2	C	-0.300
3	C	0.121
4	C	0.121
5	N	-0.250
6	N	-0.250
7	H	0.214
8	H	0.214
9	H	0.214
10	H	0.214

	x	y	z
x	9.311	-2.336	0.000
y	-2.336	5.983	0.000
z	0.000	0.000	4.449

<r²>	212.566
(<r²>)^1/2	14.580

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)