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	hartrees
Energy at 0K	-264.260773
Energy at 298.15K	-264.264657
Nuclear repulsion energy	179.011918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3091	2962	0.00
2	A_g	2382	2283	0.00
3	A_g	1448	1388	0.00
4	A_g	1374	1317	0.00
5	A_g	1053	1009	0.00
6	A_g	981	940	0.00
7	A_g	520	498	0.00
8	A_g	222	213	0.00
9	A_u	3156	3025	0.05
10	A_u	1198	1148	0.00
11	A_u	762	730	3.16
12	A_u	396	380	0.21
13	A_u	77	73	23.06
14	B_g	3137	3006	0.00
15	B_g	1304	1249	0.00
16	B_g	1022	980	0.00
17	B_g	361	346	0.00
18	B_u	3100	2971	1.40
19	B_u	2384	2284	14.42
20	B_u	1455	1394	16.98
21	B_u	1269	1217	2.61
22	B_u	954	914	3.73
23	B_u	527	505	0.91
24	B_u	130	125	24.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.643	0.000
C2	-0.423	-0.643	0.000
C3	-0.423	1.832	0.000
C4	0.423	-1.832	0.000
N5	1.112	-2.763	0.000
N6	-1.112	2.763	0.000
H7	1.072	0.671	0.884
H8	1.072	0.671	-0.884
H9	-1.072	-0.671	0.884
H10	-1.072	-0.671	-0.884

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5395	1.4593	2.4749	3.4747	2.6173	1.0967	1.0967	2.1779	2.1779
C2	1.5395		2.4749	1.4593	2.6173	3.4747	2.1779	2.1779	1.0967	1.0967
C3	1.4593	2.4749		3.7603	4.8443	1.1581	2.0890	2.0890	2.7326	2.7326
C4	2.4749	1.4593	3.7603		1.1581	4.8443	2.7326	2.7326	2.0890	2.0890
N5	3.4747	2.6173	4.8443	1.1581		5.9563	3.5458	3.5458	3.1507	3.1507
N6	2.6173	3.4747	1.1581	4.8443	5.9563		3.1507	3.1507	3.5458	3.5458
H7	1.0967	2.1779	2.0890	2.7326	3.5458	3.1507		1.7673	2.5297	3.0858
H8	1.0967	2.1779	2.0890	2.7326	3.5458	3.1507	1.7673		3.0858	2.5297
H9	2.1779	1.0967	2.7326	2.0890	3.1507	3.5458	2.5297	3.0858		1.7673
H10	2.1779	1.0967	2.7326	2.0890	3.1507	3.5458	3.0858	2.5297	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.217	C1	C2	H9	110.283
C1	C2	H10	110.283	C1	C3	N6	178.920
C2	C1	C3	111.217	C2	C1	H7	110.283
C2	C1	H8	110.283	C2	C4	N5	178.920
C3	C1	H7	108.802	C3	C1	H8	108.802
C4	C2	H9	108.802	C4	C2	H10	108.802
H7	C1	H8	107.352	H9	C2	H10	107.352

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: mPW1PW91/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	0.621
2	C	0.621
3	C	-0.058
4	C	-0.058
5	N	-0.300
6	N	-0.300
7	H	-0.131
8	H	-0.131
9	H	-0.131
10	H	-0.131

	x	y	z
x	7.776	-2.225	0.000
y	-2.225	10.858	0.000
z	0.000	0.000	6.134

<r²>	209.748
(<r²>)^1/2	14.483

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)