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	hartrees
Energy at 0K	-261.223452
Energy at 298.15K	-261.227890
Nuclear repulsion energy	180.108388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3239	2924	0.00
2	A_g	2595	2342	0.00
3	A_g	1640	1480	0.00
4	A_g	1525	1376	0.00
5	A_g	1070	966	0.00
6	A_g	1050	947	0.00
7	A_g	582	526	0.00
8	A_g	280	253	0.00
9	A_u	3298	2977	0.16
10	A_u	1390	1255	0.01
11	A_u	861	777	3.81
12	A_u	513	463	0.24
13	A_u	89	81	21.33
14	B_g	3277	2958	0.00
15	B_g	1470	1327	0.00
16	B_g	1175	1061	0.00
17	B_g	474	428	0.00
18	B_u	3247	2930	2.44
19	B_u	2596	2343	6.63
20	B_u	1639	1480	23.01
21	B_u	1463	1320	3.39
22	B_u	977	882	21.77
23	B_u	635	573	3.24
24	B_u	160	145	21.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.776	0.000
C2	0.000	-0.776	0.000
C3	-1.365	1.288	0.000
C4	1.365	-1.288	0.000
N5	2.432	-1.687	0.000
N6	-2.432	1.687	0.000
H7	0.518	1.143	0.877
H8	0.518	1.143	-0.877
H9	-0.518	-1.143	0.877
H10	-0.518	-1.143	-0.877

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5529	1.4580	2.4751	3.4615	2.5969	1.0826	1.0826	2.1734	2.1734
C2	1.5529		2.4751	1.4580	2.5969	3.4615	2.1734	2.1734	1.0826	1.0826
C3	1.4580	2.4751		3.7540	4.8238	1.1388	2.0825	2.0825	2.7202	2.7202
C4	2.4751	1.4580	3.7540		1.1388	4.8238	2.7202	2.7202	2.0825	2.0825
N5	3.4615	2.5969	4.8238	1.1388		5.9194	3.5274	3.5274	3.1252	3.1252
N6	2.5969	3.4615	1.1388	4.8238	5.9194		3.1252	3.1252	3.5274	3.5274
H7	1.0826	2.1734	2.0825	2.7202	3.5274	3.1252		1.7540	2.5106	3.0626
H8	1.0826	2.1734	2.0825	2.7202	3.5274	3.1252	1.7540		3.0626	2.5106
H9	2.1734	1.0826	2.7202	2.0825	3.1252	3.5274	2.5106	3.0626		1.7540
H10	2.1734	1.0826	2.7202	2.0825	3.1252	3.5274	3.0626	2.5106	1.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.539	C1	C2	H9	109.819
C1	C2	H10	109.819	C1	C3	N6	179.949
C2	C1	C3	110.539	C2	C1	H7	109.819
C2	C1	H8	109.819	C2	C4	N5	179.949
C3	C1	H7	109.210	C3	C1	H8	109.210
C4	C2	H9	109.210	C4	C2	H10	109.210
H7	C1	H8	108.202	H9	C2	H10	108.202

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/3-21G*

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	CHELPG
1	C	-0.440	-0.083
2	C	-0.440	-0.083
3	C	0.336	0.381
4	C	0.336	0.381
5	N	-0.493	-0.469
6	N	-0.493	-0.469
7	H	0.299	0.085
8	H	0.299	0.085
9	H	0.299	0.085
10	H	0.299	0.085

	x	y	z
x	8.075	-1.896	0.000
y	-1.896	5.264	0.000
z	0.000	0.000	4.024

<r²>	208.213
(<r²>)^1/2	14.430

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)