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	hartrees
Energy at 0K	-262.764375
Energy at 298.15K	-262.768452
Nuclear repulsion energy	176.832399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2993	2977	0.00
2	A_g	2251	2239	0.00
3	A_g	1495	1487	0.00
4	A_g	1353	1346	0.00
5	A_g	961	955	0.00
6	A_g	947	942	0.00
7	A_g	523	520	0.00
8	A_g	251	250	0.00
9	A_u	3045	3028	1.73
10	A_u	1247	1240	0.01
11	A_u	774	770	3.42
12	A_u	464	461	1.03
13	A_u	82	82	16.05
14	B_g	3024	3007	0.00
15	B_g	1327	1320	0.00
16	B_g	1043	1037	0.00
17	B_g	428	425	0.00
18	B_u	3003	2986	4.42
19	B_u	2254	2241	0.80
20	B_u	1497	1489	18.64
21	B_u	1304	1297	1.57
22	B_u	903	898	3.46
23	B_u	569	566	5.63
24	B_u	144	143	15.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.789	0.000
C2	0.000	-0.789	0.000
C3	-1.370	1.315	0.000
C4	1.370	-1.315	0.000
N5	2.470	-1.732	0.000
N6	-2.470	1.732	0.000
H7	0.536	1.154	0.892
H8	0.536	1.154	-0.892
H9	-0.536	-1.154	0.892
H10	-0.536	-1.154	-0.892

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5785	1.4671	2.5107	3.5291	2.6433	1.1031	1.1031	2.2044	2.2044
C2	1.5785		2.5107	1.4671	2.6433	3.5291	2.2044	2.2044	1.1031	1.1031
C3	1.4671	2.5107		3.7975	4.9014	1.1762	2.1108	2.1108	2.7542	2.7542
C4	2.5107	1.4671	3.7975		1.1762	4.9014	2.7542	2.7542	2.1108	2.1108
N5	3.5291	2.6433	4.9014	1.1762		6.0326	3.5862	3.5862	3.1884	3.1884
N6	2.6433	3.5291	1.1762	4.9014	6.0326		3.1884	3.1884	3.5862	3.5862
H7	1.1031	2.2044	2.1108	2.7542	3.5862	3.1884		1.7845	2.5449	3.1082
H8	1.1031	2.2044	2.1108	2.7542	3.5862	3.1884	1.7845		3.1082	2.5449
H9	2.2044	1.1031	2.7542	2.1108	3.1884	3.5862	2.5449	3.1082		1.7845
H10	2.2044	1.1031	2.7542	2.1108	3.1884	3.5862	3.1082	2.5449	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.996	C1	C2	H9	109.302
C1	C2	H10	109.302	C1	C3	N6	179.770
C2	C1	C3	110.996	C2	C1	H7	109.302
C2	C1	H8	109.302	C2	C4	N5	179.770
C3	C1	H7	109.607	C3	C1	H8	109.607
C4	C2	H9	109.607	C4	C2	H10	109.607
H7	C1	H8	107.969	H9	C2	H10	107.969

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: BLYP/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
1	C	-0.405
2	C	-0.405
3	C	0.345
4	C	0.345
5	N	-0.452
6	N	-0.452
7	H	0.256
8	H	0.256
9	H	0.256
10	H	0.256

<r²>	213.465
(<r²>)^1/2	14.610

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)