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	hartrees
Energy at 0K	-264.208145
Energy at 298.15K	-264.212067
Nuclear repulsion energy	179.111079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3070	2952	0.00
2	A_g	2374	2282	0.00
3	A_g	1459	1402	0.00
4	A_g	1374	1321	0.00
5	A_g	1038	998	0.00
6	A_g	973	935	0.00
7	A_g	523	502	0.00
8	A_g	227	218	0.00
9	A_u	3133	3012	0.10
10	A_u	1202	1155	0.09
11	A_u	767	737	4.12
12	A_u	414	398	0.35
13	A_u	79	76	21.13
14	B_g	3113	2993	0.00
15	B_g	1308	1257	0.00
16	B_g	1030	990	0.00
17	B_g	377	362	0.00
18	B_u	3080	2961	1.97
19	B_u	2376	2284	10.59
20	B_u	1467	1410	14.69
21	B_u	1281	1232	2.39
22	B_u	945	909	3.26
23	B_u	537	516	0.79
24	B_u	132	127	22.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.772	0.000
C2	0.000	-0.772	0.000
C3	-1.358	1.301	0.000
C4	1.358	-1.301	0.000
N5	2.441	-1.705	0.000
N6	-2.441	1.705	0.000
H7	0.530	1.149	0.881
H8	0.530	1.149	-0.881
H9	-0.530	-1.149	0.881
H10	-0.530	-1.149	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5431	1.4580	2.4782	3.4775	2.6135	1.0947	1.0947	2.1778	2.1778
C2	1.5431		2.4782	1.4580	2.6135	3.4775	2.1778	2.1778	1.0947	1.0947
C3	1.4580	2.4782		3.7620	4.8449	1.1556	2.0891	2.0891	2.7318	2.7318
C4	2.4782	1.4580	3.7620		1.1556	4.8449	2.7318	2.7318	2.0891	2.0891
N5	3.4775	2.6135	4.8449	1.1556		5.9553	3.5456	3.5456	3.1483	3.1483
N6	2.6135	3.4775	1.1556	4.8449	5.9553		3.1483	3.1483	3.5456	3.5456
H7	1.0947	2.1778	2.0891	2.7318	3.5456	3.1483		1.7611	2.5297	3.0824
H8	1.0947	2.1778	2.0891	2.7318	3.5456	3.1483	1.7611		3.0824	2.5297
H9	2.1778	1.0947	2.7318	2.0891	3.1483	3.5456	2.5297	3.0824		1.7611
H10	2.1778	1.0947	2.7318	2.0891	3.1483	3.5456	3.0824	2.5297	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.299	C1	C2	H9	110.143
C1	C2	H10	110.143	C1	C3	N6	179.161
C2	C1	C3	111.299	C2	C1	H7	110.143
C2	C1	H8	110.143	C2	C4	N5	179.161
C3	C1	H7	109.022	C3	C1	H8	109.022
C4	C2	H9	109.022	C4	C2	H10	109.022
H7	C1	H8	107.108	H9	C2	H10	107.108

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.390
2	C	-0.390
3	C	0.292
4	C	0.292
5	N	-0.315
6	N	-0.315
7	H	0.207
8	H	0.207
9	H	0.207
10	H	0.207

	x	y	z
x	9.566	-2.221	0.000
y	-2.221	6.657	0.000
z	0.000	0.000	5.054

<r²>	208.956
(<r²>)^1/2	14.455

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)