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	hartrees
Energy at 0K	-316.290859
Energy at 298.15K
HF Energy	-315.310637
Nuclear repulsion energy	210.388332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3558	3355	129.56	431.89	0.31	0.48
2	A'	2213	2087	52.68	205.19	0.12	0.21
3	A'	2160	2037	396.58	10.61	0.40	0.57
4	A'	1349	1272	5.20	55.78	0.25	0.40
5	A'	831	784	596.23	23.03	0.59	0.74
6	A'	657	619	1.14	12.33	0.11	0.20
7	A'	578	545	0.12	0.11	0.54	0.70
8	A'	546	515	9.79	7.37	0.68	0.81
9	A'	421	397	31.74	2.21	0.35	0.52
10	A'	164	155	6.23	0.55	0.74	0.85
11	A'	133	125	7.98	8.24	0.73	0.84
12	A"	2217	2091	1.58	148.48	0.75	0.86
13	A"	1237	1166	0.46	8.81	0.75	0.86
14	A"	752	709	102.52	1.86	0.75	0.86
15	A"	620	585	1.64	0.48	0.75	0.86
16	A"	387	365	7.06	5.43	0.75	0.86
17	A"	378	356	0.00	0.83	0.75	0.86
18	A"	129	122	0.01	10.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	-0.057	0.000
C2	-0.013	1.286	0.000
N3	0.157	2.491	0.000
C4	-0.013	-0.763	1.244
C5	-0.013	-0.763	-1.244
N6	-0.013	-1.344	2.275
N7	-0.013	-1.344	-2.275
H8	-0.611	3.164	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3432	2.5539	1.4301	1.4301	2.6141	2.6141	3.2762
C2	1.3432		1.2170	2.3967	2.3967	3.4778	3.4778	1.9709
N3	2.5539	1.2170		3.4875	3.4875	4.4626	4.4626	1.0212
C4	1.4301	2.3967	3.4875		2.4880	1.1840	3.5671	4.1621
C5	1.4301	2.3967	3.4875	2.4880		3.5671	1.1840	4.1621
N6	2.6141	3.4778	4.4626	1.1840	3.5671		4.5508	5.0851
N7	2.6141	3.4778	4.4626	3.5671	1.1840	4.5508		5.0851
H8	3.2762	1.9709	1.0212	4.1621	4.1621	5.0851	5.0851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	171.955	C1	C4	N6	179.864
C1	C5	N7	179.864	C2	C1	C4	119.554
C2	C1	C5	119.554	C2	N3	H8	123.190
C4	C1	C5	120.892

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)

using model chemistry: MP2/6-31G*

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 HN=C=C(CN)2 (Dicyanoketenimine)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)