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	hartrees
Energy at 0K	-264.224051
Energy at 298.15K	-264.227910
Nuclear repulsion energy	178.668951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3072	2963	0.00
2	A_g	2360	2276	0.00
3	A_g	1441	1390	0.00
4	A_g	1363	1315	0.00
5	A_g	1042	1005	0.00
6	A_g	973	938	0.00
7	A_g	515	497	0.00
8	A_g	221	213	0.00
9	A_u	3136	3025	0.08
10	A_u	1191	1149	0.00
11	A_u	759	732	3.09
12	A_u	393	379	0.16
13	A_u	77	74	22.82
14	B_g	3118	3007	0.00
15	B_g	1296	1250	0.00
16	B_g	1017	981	0.00
17	B_g	358	345	0.00
18	B_u	3081	2972	1.57
19	B_u	2361	2278	13.14
20	B_u	1447	1396	16.75
21	B_u	1262	1218	2.61
22	B_u	946	912	3.40
23	B_u	523	505	1.08
24	B_u	130	125	23.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.645	0.000
C2	-0.423	-0.645	0.000
C3	-0.423	1.836	0.000
C4	0.423	-1.836	0.000
N5	1.111	-2.771	0.000
N6	-1.111	2.771	0.000
H7	1.073	0.673	0.885
H8	1.073	0.673	-0.885
H9	-1.073	-0.673	0.885
H10	-1.073	-0.673	-0.885

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5426	1.4614	2.4803	3.4838	2.6218	1.0984	1.0984	2.1817	2.1817
C2	1.5426		2.4803	1.4614	2.6218	3.4838	2.1817	2.1817	1.0984	1.0984
C3	1.4614	2.4803		3.7677	4.8551	1.1605	2.0916	2.0916	2.7386	2.7386
C4	2.4803	1.4614	3.7677		1.1605	4.8551	2.7386	2.7386	2.0916	2.0916
N5	3.4838	2.6218	4.8551	1.1605		5.9701	3.5560	3.5560	3.1547	3.1547
N6	2.6218	3.4838	1.1605	4.8551	5.9701		3.1547	3.1547	3.5560	3.5560
H7	1.0984	2.1817	2.0916	2.7386	3.5560	3.1547		1.7706	2.5334	3.0908
H8	1.0984	2.1817	2.0916	2.7386	3.5560	3.1547	1.7706		3.0908	2.5334
H9	2.1817	1.0984	2.7386	2.0916	3.1547	3.5560	2.5334	3.0908		1.7706
H10	2.1817	1.0984	2.7386	2.0916	3.1547	3.5560	3.0908	2.5334	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.282	C1	C2	H9	110.265
C1	C2	H10	110.265	C1	C3	N6	179.098
C2	C1	C3	111.282	C2	C1	H7	110.265
C2	C1	H8	110.265	C2	C4	N5	179.098
C3	C1	H7	108.756	C3	C1	H8	108.756
C4	C2	H9	108.756	C4	C2	H10	108.756
H7	C1	H8	107.414	H9	C2	H10	107.414

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3PW91/aug-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	0.671
2	C	0.671
3	C	-0.087
4	C	-0.087
5	N	-0.266
6	N	-0.266
7	H	-0.159
8	H	-0.159
9	H	-0.159
10	H	-0.159

	x	y	z
x	7.815	-2.250	0.000
y	-2.250	10.969	0.000
z	0.000	0.000	6.166

<r²>	210.548
(<r²>)^1/2	14.510

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)