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	hartrees
Energy at 0K	-44.764227
Energy at 298.15K	-44.767971
Nuclear repulsion energy	90.335312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3081	2975	0.00
2	A_g	2351	2270	0.00
3	A_g	1471	1421	0.00
4	A_g	1380	1332	0.00
5	A_g	1024	989	0.00
6	A_g	955	922	0.00
7	A_g	500	483	0.00
8	A_g	216	209	0.00
9	A_u	3147	3039	7.30
10	A_u	1204	1163	0.13
11	A_u	755	729	3.93
12	A_u	387	374	0.49
13	A_u	75	73	21.05
14	B_g	3126	3019	0.00
15	B_g	1309	1264	0.00
16	B_g	1007	972	0.00
17	B_g	346	334	0.00
18	B_u	3088	2982	7.85
19	B_u	2352	2272	15.88
20	B_u	1480	1429	15.58
21	B_u	1279	1235	3.03
22	B_u	920	889	9.22
23	B_u	509	491	4.13
24	B_u	127	123	20.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.781	0.000
C2	0.000	-0.781	0.000
C3	-1.392	1.307	0.000
C4	1.392	-1.307	0.000
N5	2.500	-1.708	0.000
N6	-2.500	1.708	0.000
H7	0.522	1.166	0.890
H8	0.522	1.166	-0.890
H9	-0.522	-1.166	0.890
H10	-0.522	-1.166	-0.890

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5610	1.4884	2.5092	3.5279	2.6669	1.1015	1.1015	2.2028	2.2028
C2	1.5610		2.5092	1.4884	2.6669	3.5279	2.2028	2.2028	1.1015	1.1015
C3	1.4884	2.5092		3.8192	4.9238	1.1786	2.1156	2.1156	2.7685	2.7685
C4	2.5092	1.4884	3.8192		1.1786	4.9238	2.7685	2.7685	2.1156	2.1156
N5	3.5279	2.6669	4.9238	1.1786		6.0565	3.6011	3.6011	3.1969	3.1969
N6	2.6669	3.5279	1.1786	4.9238	6.0565		3.1969	3.1969	3.6011	3.6011
H7	1.1015	2.2028	2.1156	2.7685	3.6011	3.1969		1.7806	2.5543	3.1136
H8	1.1015	2.2028	2.1156	2.7685	3.6011	3.1969	1.7806		3.1136	2.5543
H9	2.2028	1.1015	2.7685	2.1156	3.1969	3.6011	2.5543	3.1136		1.7806
H10	2.2028	1.1015	2.7685	2.1156	3.1969	3.6011	3.1136	2.5543	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.717	C1	C2	H9	110.470
C1	C2	H10	110.470	C1	C3	N6	179.191
C2	C1	C3	110.717	C2	C1	H7	110.470
C2	C1	H8	110.470	C2	C4	N5	179.191
C3	C1	H7	108.623	C3	C1	H8	108.623
C4	C2	H9	108.623	C4	C2	H10	108.623
H7	C1	H8	107.858	H9	C2	H10	107.858

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/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	-0.238
2	C	-0.238
3	C	-0.550
4	C	-0.550
5	N	0.393
6	N	0.393
7	H	0.198
8	H	0.198
9	H	0.198
10	H	0.198

	x	y	z
x	9.894	-2.372	0.000
y	-2.372	6.715	0.000
z	0.000	0.000	4.841

<r²>	161.657
(<r²>)^1/2	12.714

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)