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	hartrees
Energy at 0K	-264.293283
Energy at 298.15K	-264.297236
Nuclear repulsion energy	179.637820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3083	2950	0.00
2	A_g	2394	2291	0.00
3	A_g	1471	1408	0.00
4	A_g	1391	1331	0.00
5	A_g	1048	1003	0.00
6	A_g	985	942	0.00
7	A_g	526	504	0.00
8	A_g	228	218	0.00
9	A_u	3143	3007	0.19
10	A_u	1216	1164	0.04
11	A_u	772	739	3.92
12	A_u	413	395	0.02
13	A_u	80	77	21.49
14	B_g	3124	2988	0.00
15	B_g	1322	1264	0.00
16	B_g	1036	991	0.00
17	B_g	374	358	0.00
18	B_u	3092	2958	1.99
19	B_u	2396	2292	11.55
20	B_u	1478	1414	18.61
21	B_u	1294	1238	1.46
22	B_u	954	912	4.35
23	B_u	541	517	1.26
24	B_u	133	127	22.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.422	0.644	0.000
C2	-0.422	-0.644	0.000
C3	-0.422	1.829	0.000
C4	0.422	-1.829	0.000
N5	1.103	-2.756	0.000
N6	-1.103	2.756	0.000
H7	1.069	0.671	0.879
H8	1.069	0.671	-0.879
H9	-1.069	-0.671	0.879
H10	-1.069	-0.671	-0.879

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5390	1.4549	2.4724	3.4670	2.6054	1.0921	1.0921	2.1736	2.1736
C2	1.5390		2.4724	1.4549	2.6054	3.4670	2.1736	2.1736	1.0921	1.0921
C3	1.4549	2.4724		3.7537	4.8317	1.1506	2.0821	2.0821	2.7282	2.7282
C4	2.4724	1.4549	3.7537		1.1506	4.8317	2.7282	2.7282	2.0821	2.0821
N5	3.4670	2.6054	4.8317	1.1506		5.9371	3.5384	3.5384	3.1364	3.1364
N6	2.6054	3.4670	1.1506	4.8317	5.9371		3.1364	3.1364	3.5384	3.5384
H7	1.0921	2.1736	2.0821	2.7282	3.5384	3.1364		1.7589	2.5243	3.0767
H8	1.0921	2.1736	2.0821	2.7282	3.5384	3.1364	1.7589		3.0767	2.5243
H9	2.1736	1.0921	2.7282	2.0821	3.1364	3.5384	2.5243	3.0767		1.7589
H10	2.1736	1.0921	2.7282	2.0821	3.1364	3.5384	3.0767	2.5243	1.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.313	C1	C2	H9	110.245
C1	C2	H10	110.245	C1	C3	N6	179.117
C2	C1	C3	111.313	C2	C1	H7	110.245
C2	C1	H8	110.245	C2	C4	N5	179.117
C3	C1	H7	108.829	C3	C1	H8	108.829
C4	C2	H9	108.829	C4	C2	H10	108.829
H7	C1	H8	107.273	H9	C2	H10	107.273

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: mPW1PW91/6-311G**

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	-0.212
2	C	-0.212
3	C	0.079
4	C	0.079
5	N	-0.262
6	N	-0.262
7	H	0.197
8	H	0.197
9	H	0.197
10	H	0.197

	x	y	z
x	6.646	-2.267	0.000
y	-2.267	9.503	0.000
z	0.000	0.000	4.910

<r²>	208.344
(<r²>)^1/2	14.434

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)