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	hartrees
Energy at 0K	-264.330742
Energy at 298.15K	-264.334598
HF Energy	-264.330742
Nuclear repulsion energy	178.672892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3063	2956	0.00
2	A_g	2340	2258	0.00
3	A_g	1476	1424	0.00
4	A_g	1370	1322	0.00
5	A_g	1018	982	0.00
6	A_g	962	929	0.00
7	A_g	515	497	0.00
8	A_g	221	213	0.00
9	A_u	3123	3014	1.16
10	A_u	1201	1159	0.00
11	A_u	763	736	2.83
12	A_u	405	390	0.22
13	A_u	75	72	20.53
14	B_g	3104	2995	0.00
15	B_g	1312	1266	0.00
16	B_g	1034	998	0.00
17	B_g	367	354	0.00
18	B_u	3072	2965	3.76
19	B_u	2342	2260	8.13
20	B_u	1485	1433	10.94
21	B_u	1282	1237	3.60
22	B_u	932	899	3.79
23	B_u	525	507	1.01
24	B_u	127	123	21.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.647	0.000
C2	-0.426	-0.647	0.000
C3	-0.426	1.836	0.000
C4	0.426	-1.836	0.000
N5	1.119	-2.765	0.000
N6	-1.119	2.765	0.000
H7	1.073	0.671	0.881
H8	1.073	0.671	-0.881
H9	-1.073	-0.671	0.881
H10	-1.073	-0.671	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5495	1.4623	2.4837	3.4823	2.6215	1.0941	1.0941	2.1823	2.1823
C2	1.5495		2.4837	1.4623	2.6215	3.4823	2.1823	2.1823	1.0941	1.0941
C3	1.4623	2.4837		3.7700	4.8539	1.1593	2.0932	2.0932	2.7357	2.7357
C4	2.4837	1.4623	3.7700		1.1593	4.8539	2.7357	2.7357	2.0932	2.0932
N5	3.4823	2.6215	4.8539	1.1593		5.9663	3.5479	3.5479	3.1575	3.1575
N6	2.6215	3.4823	1.1593	4.8539	5.9663		3.1575	3.1575	3.5479	3.5479
H7	1.0941	2.1823	2.0932	2.7357	3.5479	3.1575		1.7629	2.5318	3.0851
H8	1.0941	2.1823	2.0932	2.7357	3.5479	3.1575	1.7629		3.0851	2.5318
H9	2.1823	1.0941	2.7357	2.0932	3.1575	3.5479	2.5318	3.0851		1.7629
H10	2.1823	1.0941	2.7357	2.0932	3.1575	3.5479	3.0851	2.5318	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.070	C1	C2	H9	110.086
C1	C2	H10	110.086	C1	C3	N6	178.846
C2	C1	C3	111.070	C2	C1	H7	110.086
C2	C1	H8	110.086	C2	C4	N5	178.846
C3	C1	H7	109.083	C3	C1	H8	109.083
C4	C2	H9	109.083	C4	C2	H10	109.083
H7	C1	H8	107.348	H9	C2	H10	107.348

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: TPSSh/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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All results from a given calculation for C4H4N2 (Succinonitrile)

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

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)