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	hartrees
Energy at 0K	-43.488844
Energy at 298.15K	-43.493029
Nuclear repulsion energy	91.030846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3278	2955	0.00
2	A_g	2513	2265	0.00
3	A_g	1629	1468	0.00
4	A_g	1535	1384	0.00
5	A_g	1126	1015	0.00
6	A_g	1040	937	0.00
7	A_g	550	496	0.00
8	A_g	253	228	0.00
9	A_u	3355	3024	21.42
10	A_u	1335	1203	1.27
11	A_u	854	769	2.48
12	A_u	441	398	0.16
13	A_u	84	76	26.04
14	B_g	3335	3006	0.00
15	B_g	1436	1295	0.00
16	B_g	1155	1041	0.00
17	B_g	402	363	0.00
18	B_u	3282	2958	22.26
19	B_u	2515	2267	22.67
20	B_u	1633	1472	23.68
21	B_u	1444	1301	0.59
22	B_u	985	888	38.28
23	B_u	572	516	4.14
24	B_u	146	132	25.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.777	0.000
C2	0.000	-0.777	0.000
C3	-1.393	1.301	0.000
C4	1.393	-1.301	0.000
N5	2.482	-1.702	0.000
N6	-2.482	1.702	0.000
H7	0.514	1.156	0.878
H8	0.514	1.156	-0.878
H9	-0.514	-1.156	0.878
H10	-0.514	-1.156	-0.878

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5538	1.4879	2.5012	3.5081	2.6489	1.0855	1.0855	2.1844	2.1844
C2	1.5538		2.5012	1.4879	2.6489	3.5081	2.1844	2.1844	1.0855	1.0855
C3	1.4879	2.5012		3.8112	4.9022	1.1610	2.1038	2.1038	2.7531	2.7531
C4	2.5012	1.4879	3.8112		1.1610	4.9022	2.7531	2.7531	2.1038	2.1038
N5	3.5081	2.6489	4.9022	1.1610		6.0194	3.5798	3.5798	3.1692	3.1692
N6	2.6489	3.5081	1.1610	4.9022	6.0194		3.1692	3.1692	3.5798	3.5798
H7	1.0855	2.1844	2.1038	2.7531	3.5798	3.1692		1.7552	2.5308	3.0798
H8	1.0855	2.1844	2.1038	2.7531	3.5798	3.1692	1.7552		3.0798	2.5308
H9	2.1844	1.0855	2.7531	2.1038	3.1692	3.5798	2.5308	3.0798		1.7552
H10	2.1844	1.0855	2.7531	2.1038	3.1692	3.5798	3.0798	2.5308	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.614	C1	C2	H9	110.460
C1	C2	H10	110.460	C1	C3	N6	179.623
C2	C1	C3	110.614	C2	C1	H7	110.460
C2	C1	H8	110.460	C2	C4	N5	179.623
C3	C1	H7	108.668	C3	C1	H8	108.668
C4	C2	H9	108.668	C4	C2	H10	108.668
H7	C1	H8	107.895	H9	C2	H10	107.895

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/CEP-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	-0.128
2	C	-0.128
3	C	-0.564
4	C	-0.564
5	N	0.371
6	N	0.371
7	H	0.161
8	H	0.161
9	H	0.161
10	H	0.161

	x	y	z
x	9.037	-2.058	0.000
y	-2.058	5.936	0.000
z	0.000	0.000	4.436

<r²>	161.563
(<r²>)^1/2	12.711

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)