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	hartrees
Energy at 0K	-264.186105
Energy at 298.15K	-264.190000
Nuclear repulsion energy	179.253611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3106	2949	0.00
2	A_g	2410	2288	0.00
3	A_g	1495	1419	0.00
4	A_g	1405	1333	0.00
5	A_g	1054	1001	0.00
6	A_g	988	938	0.00
7	A_g	522	496	0.00
8	A_g	224	212	0.00
9	A_u	3168	3008	0.25
10	A_u	1224	1162	0.18
11	A_u	777	737	4.40
12	A_u	412	391	0.13
13	A_u	79	75	20.75
14	B_g	3150	2990	0.00
15	B_g	1329	1262	0.00
16	B_g	1046	993	0.00
17	B_g	371	352	0.00
18	B_u	3115	2957	2.19
19	B_u	2412	2289	10.15
20	B_u	1501	1425	15.60
21	B_u	1304	1238	1.62
22	B_u	959	910	5.00
23	B_u	532	505	1.23
24	B_u	130	123	22.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.642	0.000
C2	-0.423	-0.642	0.000
C3	-0.423	1.829	0.000
C4	0.423	-1.829	0.000
N5	1.110	-2.760	0.000
N6	-1.110	2.760	0.000
H7	1.071	0.667	0.879
H8	1.071	0.667	-0.879
H9	-1.071	-0.667	0.879
H10	-1.071	-0.667	-0.879

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5385	1.4576	2.4719	3.4715	2.6144	1.0927	1.0927	2.1728	2.1728
C2	1.5385		2.4719	1.4576	2.6144	3.4715	2.1728	2.1728	1.0927	1.0927
C3	1.4576	2.4719		3.7554	4.8390	1.1569	2.0873	2.0873	2.7251	2.7251
C4	2.4719	1.4576	3.7554		1.1569	4.8390	2.7251	2.7251	2.0873	2.0873
N5	3.4715	2.6144	4.8390	1.1569		5.9503	3.5387	3.5387	3.1483	3.1483
N6	2.6144	3.4715	1.1569	4.8390	5.9503		3.1483	3.1483	3.5387	3.5387
H7	1.0927	2.1728	2.0873	2.7251	3.5387	3.1483		1.7587	2.5239	3.0762
H8	1.0927	2.1728	2.0873	2.7251	3.5387	3.1483	1.7587		3.0762	2.5239
H9	2.1728	1.0927	2.7251	2.0873	3.1483	3.5387	2.5239	3.0762		1.7587
H10	2.1728	1.0927	2.7251	2.0873	3.1483	3.5387	3.0762	2.5239	1.7587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.157	C1	C2	H9	110.184
C1	C2	H10	110.184	C1	C3	N6	179.068
C2	C1	C3	111.157	C2	C1	H7	110.184
C2	C1	H8	110.184	C2	C4	N5	179.068
C3	C1	H7	109.023	C3	C1	H8	109.023
C4	C2	H9	109.023	C4	C2	H10	109.023
H7	C1	H8	107.172	H9	C2	H10	107.172

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/6-31G*

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	-0.388
2	C	-0.388
3	C	0.345
4	C	0.345
5	N	-0.444
6	N	-0.444
7	H	0.244
8	H	0.244
9	H	0.244
10	H	0.244

	x	y	z
x	6.284	-2.344	0.000
y	-2.344	9.099	0.000
z	0.000	0.000	4.597

<r²>	208.548
(<r²>)^1/2	14.441

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)