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	hartrees
Energy at 0K	-263.989906
Energy at 298.15K	-263.993674
Nuclear repulsion energy	177.445925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2992	2975	0.00
2	A_g	2280	2267	0.00
3	A_g	1388	1380	0.00
4	A_g	1318	1310	0.00
5	A_g	1015	1009	0.00
6	A_g	950	944	0.00
7	A_g	503	500	0.00
8	A_g	216	214	0.00
9	A_u	3053	3035	0.11
10	A_u	1150	1143	0.01
11	A_u	743	739	3.63
12	A_u	393	391	0.09
13	A_u	76	75	17.88
14	B_g	3034	3016	0.00
15	B_g	1255	1248	0.00
16	B_g	980	974	0.00
17	B_g	353	351	0.00
18	B_u	3001	2983	2.32
19	B_u	2282	2269	7.69
20	B_u	1395	1387	15.19
21	B_u	1224	1217	2.70
22	B_u	931	926	1.78
23	B_u	511	508	2.40
24	B_u	126	125	17.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.650	0.000
C2	-0.423	-0.650	0.000
C3	-0.423	1.844	0.000
C4	0.423	-1.844	0.000
N5	1.118	-2.790	0.000
N6	-1.118	2.790	0.000
H7	1.083	0.676	0.891
H8	1.083	0.676	-0.891
H9	-1.083	-0.676	0.891
H10	-1.083	-0.676	-0.891

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5506	1.4639	2.4940	3.5096	2.6378	1.1095	1.1095	2.1954	2.1954
C2	1.5506		2.4940	1.4639	2.6378	3.5096	2.1954	2.1954	1.1095	1.1095
C3	1.4639	2.4940		3.7844	4.8842	1.1739	2.1045	2.1045	2.7533	2.7533
C4	2.4940	1.4639	3.7844		1.1739	4.8842	2.7533	2.7533	2.1045	2.1045
N5	3.5096	2.6378	4.8842	1.1739		6.0121	3.5790	3.5790	3.1800	3.1800
N6	2.6378	3.5096	1.1739	4.8842	6.0121		3.1800	3.1800	3.5790	3.5790
H7	1.1095	2.1954	2.1045	2.7533	3.5790	3.1800		1.7828	2.5532	3.1141
H8	1.1095	2.1954	2.1045	2.7533	3.5790	3.1800	1.7828		3.1141	2.5532
H9	2.1954	1.1095	2.7533	2.1045	3.1800	3.5790	2.5532	3.1141		1.7828
H10	2.1954	1.1095	2.7533	2.1045	3.1800	3.5790	3.1141	2.5532	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.617	C1	C2	H9	110.138
C1	C2	H10	110.138	C1	C3	N6	179.013
C2	C1	C3	111.617	C2	C1	H7	110.138
C2	C1	H8	110.138	C2	C4	N5	179.013
C3	C1	H7	108.952	C3	C1	H8	108.952
C4	C2	H9	108.952	C4	C2	H10	108.952
H7	C1	H8	106.918	H9	C2	H10	106.918

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.002
2	C	-0.002
3	C	-0.094
4	C	-0.094
5	N	-0.098
6	N	-0.098
7	H	0.097
8	H	0.097
9	H	0.097
10	H	0.097

	x	y	z
x	6.743	-2.367	0.000
y	-2.367	9.837	0.000
z	0.000	0.000	4.964

<r²>	212.079
(<r²>)^1/2	14.563

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)