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	hartrees
Energy at 0K	-44.697160
Energy at 298.15K	-44.700992
Nuclear repulsion energy	90.303541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3031	2954	0.00
2	A_g	2242	2185	0.00
3	A_g	1501	1463	0.00
4	A_g	1386	1350	0.00
5	A_g	1025	999	0.00
6	A_g	954	930	0.00
7	A_g	498	485	0.00
8	A_g	220	214	0.00
9	A_u	3100	3021	8.31
10	A_u	1223	1192	0.12
11	A_u	783	763	2.94
12	A_u	386	376	1.17
13	A_u	74	72	21.50
14	B_g	3077	2999	0.00
15	B_g	1318	1284	0.00
16	B_g	1055	1028	0.00
17	B_g	348	339	0.00
18	B_u	3038	2961	12.06
19	B_u	2244	2187	7.37
20	B_u	1508	1469	24.48
21	B_u	1313	1280	0.35
22	B_u	913	889	12.12
23	B_u	509	496	6.32
24	B_u	129	126	19.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.783	0.000
C2	0.000	-0.783	0.000
C3	-1.383	1.317	0.000
C4	1.383	-1.317	0.000
N5	2.492	-1.730	0.000
N6	-2.492	1.730	0.000
H7	0.529	1.161	0.883
H8	0.529	1.161	-0.883
H9	-0.529	-1.161	0.883
H10	-0.529	-1.161	-0.883

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5666	1.4828	2.5152	3.5390	2.6656	1.0967	1.0967	2.1998	2.1998
C2	1.5666		2.5152	1.4828	2.6656	3.5390	2.1998	2.1998	1.0967	1.0967
C3	1.4828	2.5152		3.8205	4.9297	1.1828	2.1124	2.1124	2.7660	2.7660
C4	2.5152	1.4828	3.8205		1.1828	4.9297	2.7660	2.7660	2.1124	2.1124
N5	3.5390	2.6656	4.9297	1.1828		6.0668	3.6037	3.6037	3.1986	3.1986
N6	2.6656	3.5390	1.1828	4.9297	6.0668		3.1986	3.1986	3.6037	3.6037
H7	1.0967	2.1998	2.1124	2.7660	3.6037	3.1986		1.7669	2.5510	3.1032
H8	1.0967	2.1998	2.1124	2.7660	3.6037	3.1986	1.7669		3.1032	2.5510
H9	2.1998	1.0967	2.7660	2.1124	3.1986	3.6037	2.5510	3.1032		1.7669
H10	2.1998	1.0967	2.7660	2.1124	3.1986	3.6037	3.1032	2.5510	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.112	C1	C2	H9	110.124
C1	C2	H10	110.124	C1	C3	N6	179.281
C2	C1	C3	111.112	C2	C1	H7	110.124
C2	C1	H8	110.124	C2	C4	N5	179.281
C3	C1	H7	109.033	C3	C1	H8	109.033
C4	C2	H9	109.033	C4	C2	H10	109.033
H7	C1	H8	107.327	H9	C2	H10	107.327

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/CEP-121G

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	-0.318
2	C	-0.318
3	C	-0.368
4	C	-0.368
5	N	0.266
6	N	0.266
7	H	0.210
8	H	0.210
9	H	0.210
10	H	0.210

	x	y	z
x	10.005	-2.342	0.000
y	-2.342	6.622	0.000
z	0.000	0.000	5.012

<r²>	162.563
(<r²>)^1/2	12.750

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)