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	hartrees
Energy at 0K	-264.195655
Energy at 298.15K	-264.199449
HF Energy	-264.195655
Nuclear repulsion energy	178.488311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3004	2961	0.00
2	A_g	2287	2254	0.00
3	A_g	1443	1422	0.00
4	A_g	1346	1327	0.00
5	A_g	993	978	0.00
6	A_g	950	937	0.00
7	A_g	507	499	0.00
8	A_g	216	213	0.00
9	A_u	3060	3016	3.00
10	A_u	1188	1171	0.03
11	A_u	757	746	2.96
12	A_u	392	386	0.00
13	A_u	72	71	20.21
14	B_g	3040	2997	0.00
15	B_g	1290	1272	0.00
16	B_g	1011	997	0.00
17	B_g	353	348	0.00
18	B_u	3014	2971	6.41
19	B_u	2289	2257	6.96
20	B_u	1450	1429	14.56
21	B_u	1264	1246	1.82
22	B_u	920	907	2.78
23	B_u	520	513	1.74
24	B_u	126	125	20.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.650	0.000
C2	-0.425	-0.650	0.000
C3	-0.425	1.838	0.000
C4	0.425	-1.838	0.000
N5	1.126	-2.764	0.000
N6	-1.126	2.764	0.000
H7	1.075	0.672	0.883
H8	1.075	0.672	-0.883
H9	-1.075	-0.672	0.883
H10	-1.075	-0.672	-0.883

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5536	1.4605	2.4876	3.4854	2.6220	1.0968	1.0968	2.1864	2.1864
C2	1.5536		2.4876	1.4605	2.6220	3.4854	2.1864	2.1864	1.0968	1.0968
C3	1.4605	2.4876		3.7721	4.8560	1.1618	2.0950	2.0950	2.7389	2.7389
C4	2.4876	1.4605	3.7721		1.1618	4.8560	2.7389	2.7389	2.0950	2.0950
N5	3.4854	2.6220	4.8560	1.1618		5.9693	3.5485	3.5485	3.1625	3.1625
N6	2.6220	3.4854	1.1618	4.8560	5.9693		3.1625	3.1625	3.5485	3.5485
H7	1.0968	2.1864	2.0950	2.7389	3.5485	3.1625		1.7660	2.5365	3.0908
H8	1.0968	2.1864	2.0950	2.7389	3.5485	3.1625	1.7660		3.0908	2.5365
H9	2.1864	1.0968	2.7389	2.0950	3.1625	3.5485	2.5365	3.0908		1.7660
H10	2.1864	1.0968	2.7389	2.0950	3.1625	3.5485	3.0908	2.5365	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.257	C1	C2	H9	110.176
C1	C2	H10	110.176	C1	C3	N6	177.802
C2	C1	C3	111.257	C2	C1	H7	110.176
C2	C1	H8	110.176	C2	C4	N5	177.802
C3	C1	H7	108.981	C3	C1	H8	108.981
C4	C2	H9	108.981	C4	C2	H10	108.981
H7	C1	H8	107.169	H9	C2	H10	107.169

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B97D3/6-311G**

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	-0.173
2	C	-0.173
3	C	0.045
4	C	0.045
5	N	-0.230
6	N	-0.230
7	H	0.179
8	H	0.179
9	H	0.179
10	H	0.179

	x	y	z
x	6.929	-2.441	0.000
y	-2.441	9.984	0.000
z	0.000	0.000	5.042

<r²>	210.277
(<r²>)^1/2	14.501

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)