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	hartrees
Energy at 0K	-259.393480
Energy at 298.15K	-259.397480
Nuclear repulsion energy	177.537746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3609	2946	0.00
2	A_g	2761	2254	0.00
3	A_g	1769	1444	0.00
4	A_g	1666	1360	0.00
5	A_g	1226	1001	0.00
6	A_g	1103	901	0.00
7	A_g	579	473	0.00
8	A_g	262	214	0.00
9	A_u	3724	3040	7.65
10	A_u	1409	1150	0.00
11	A_u	898	733	3.92
12	A_u	456	373	1.57
13	A_u	80	66	14.38
14	B_g	3715	3033	0.00
15	B_g	1524	1244	0.00
16	B_g	1228	1003	0.00
17	B_g	421	344	0.00
18	B_u	3611	2948	2.60
19	B_u	2762	2255	24.53
20	B_u	1783	1456	5.18
21	B_u	1520	1241	10.76
22	B_u	1048	856	14.61
23	B_u	601	490	0.87
24	B_u	150	123	16.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.431	0.647	0.000
C2	-0.431	-0.647	0.000
C3	-0.431	1.863	0.000
C4	0.431	-1.863	0.000
N5	1.103	-2.802	0.000
N6	-1.103	2.802	0.000
H7	1.072	0.668	0.882
H8	1.072	0.668	-0.882
H9	-1.072	-0.668	0.882
H10	-1.072	-0.668	-0.882

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5547	1.4904	2.5105	3.5140	2.6449	1.0909	1.0909	2.1833	2.1833
C2	1.5547		2.5105	1.4904	2.6449	3.5140	2.1833	2.1833	1.0909	1.0909
C3	1.4904	2.5105		3.8250	4.9109	1.1545	2.1128	2.1128	2.7568	2.7568
C4	2.5105	1.4904	3.8250		1.1545	4.9109	2.7568	2.7568	2.1128	2.1128
N5	3.5140	2.6449	4.9109	1.1545		6.0225	3.5810	3.5810	3.1718	3.1718
N6	2.6449	3.5140	1.1545	4.9109	6.0225		3.1718	3.1718	3.5810	3.5810
H7	1.0909	2.1833	2.1128	2.7568	3.5810	3.1718		1.7648	2.5264	3.0817
H8	1.0909	2.1833	2.1128	2.7568	3.5810	3.1718	1.7648		3.0817	2.5264
H9	2.1833	1.0909	2.7568	2.1128	3.1718	3.5810	2.5264	3.0817		1.7648
H10	2.1833	1.0909	2.7568	2.1128	3.1718	3.5810	3.0817	2.5264	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.048	C1	C2	H9	109.993
C1	C2	H10	109.993	C1	C3	N6	179.691
C2	C1	C3	111.048	C2	C1	H7	109.993
C2	C1	H8	109.993	C2	C4	N5	179.691
C3	C1	H7	108.885	C3	C1	H8	108.885
C4	C2	H9	108.885	C4	C2	H10	108.885
H7	C1	H8	107.968	H9	C2	H10	107.968

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/STO-3G

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	-0.092
2	C	-0.092
3	C	0.069
4	C	0.069
5	N	-0.187
6	N	-0.187
7	H	0.105
8	H	0.105
9	H	0.105
10	H	0.105

	x	y	z
x	3.332	-1.612	0.000
y	-1.612	5.041	0.000
z	0.000	0.000	2.266

<r²>	211.879
(<r²>)^1/2	14.556

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)